Detailed information for compound 1406002

Basic information

Technical information
  • TDR Targets ID: 1406002
  • Name: STOCK1N-60415
  • MW: 455.542 | Formula: C23H37NO8
  • H donors: 2 H acceptors: 3 LogP: 2.21 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC(NC(=O)CCC(=O)OC1O[C@H]2OC3(C)CC[C@@H]4C2(C(C1C)CC[C@H]4C)OO3)(C)C
  • InChi: 1S/C23H37NO8/c1-13-6-7-16-14(2)19(28-18(27)9-8-17(26)24-21(3,4)12-25)29-20-23(16)15(13)10-11-22(5,30-20)31-32-23/h13-16,19-20,25H,6-12H2,1-5H3,(H,24,26)/t13-,14?,15+,16?,19?,20+,22?,23?/m1/s1
  • InChiKey: JQUKZDZVFSIJPC-IFHAOTGOSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Mus musculus GLI-Kruppel family member GLI1 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Mus musculus wingless-type MMTV integration site family, member 3A Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) zinc finger protein Get druggable targets OG5_130785 All targets in OG5_130785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis zinc finger transcription factor gli2 Get druggable targets OG5_130785 All targets in OG5_130785
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Zinc finger, C2H2 type family protein Get druggable targets OG5_130785 All targets in OG5_130785
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus zinc finger transcription factor gli2 Get druggable targets OG5_130785 All targets in OG5_130785
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Wnt-2 protein precursor wingless-type MMTV integration site family, member 3A 352 aa 355 aa 39.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cathepsin B (C01 family) 0.0099 0.0593 0.0712
Onchocerca volvulus 0.0437 0.421 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 0.0593 0.1409
Entamoeba histolytica cysteine proteinase, putative 0.0236 0.206 0.4892
Entamoeba histolytica cysteine proteinase, putative 0.0437 0.421 1
Schistosoma mansoni cathepsin F (C01 family) 0.0437 0.421 0.5053
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Schistosoma mansoni cathepsin C 0.0099 0.0593 0.0712
Brugia malayi cathepsin B-like cysteine proteinase 0.0823 0.8331 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.0593 0.0712
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0236 0.206 0.4892
Loa Loa (eye worm) hypothetical protein 0.03 0.2744 0.3293
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Brugia malayi Cathepsin L-like precursor 0.0437 0.421 0.5053
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0137 0.1002 0.1202
Entamoeba histolytica cysteine protease, putative 0.0099 0.0593 0.141
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0099 0.0593 0.0712
Schistosoma mansoni cathepsin F (C01 family) 0.0437 0.421 0.5053
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0323 0.2987 0.7094
Onchocerca volvulus 0.0437 0.421 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0126 0.0151
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.2653 0.6301
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0236 0.206 0.2472
Brugia malayi cathepsin F-like cysteine proteinase 0.0099 0.0593 0.0712
Giardia lamblia Cathepsin B precursor 0.0323 0.2987 1
Brugia malayi Papain family cysteine protease containing protein 0.0236 0.206 0.2472
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0323 0.2987 0.3585
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.0593 0.1409
Brugia malayi Cathepsin L-like precursor 0.0437 0.421 0.5053
Schistosoma mansoni cathepsin F (C01 family) 0.03 0.2744 0.3293
Echinococcus granulosus zinc finger transcription factor gli2 0.0373 0.3527 0.4233
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.2653 0.6301
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0099 0.0593 0.0712
Entamoeba histolytica cysteine protease, putative 0.0099 0.0593 0.141
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0099 0.0593 0.0712
Trypanosoma cruzi cysteine peptidase, putative 0.0236 0.206 0.2472
Leishmania major cathepsin L-like protease 0.0437 0.421 1
Echinococcus granulosus cathepsin L 0.0236 0.206 0.2472
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0437 0.421 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0099 0.0593 0.0712
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0437 0.421 1
Treponema pallidum fructose-bisphosphate aldolase 0.0292 0.2653 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 0.0593 0.0712
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0099 0.0593 0.1409
Brugia malayi cathepsin L-like precursor 0.03 0.2744 0.3293
Brugia malayi Zinc finger, C2H2 type family protein 0.0373 0.3527 0.4233
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0099 0.0593 0.1409
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0437 0.421 0.5053
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0099 0.0593 0.1409
Echinococcus granulosus cathepsin b 0.0823 0.8331 1
Trypanosoma cruzi cysteine peptidase, putative 0.0437 0.421 0.5053
Brugia malayi cathepsin Z-like cysteine proteinase 0.0099 0.0593 0.0712
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0099 0.0593 0.1409
Toxoplasma gondii cathepsin CPL 0.0437 0.421 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.2653 0.6301
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0823 0.8331 1
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Brugia malayi cathepsin Z-like cysteine proteinase 0.0099 0.0593 0.0712
Entamoeba histolytica cysteine proteinase, putative 0.0236 0.206 0.4892
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0437 0.421 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0099 0.0593 0.1409
Schistosoma mansoni hypothetical protein 0.0205 0.1722 0.2067
Loa Loa (eye worm) hypothetical protein 0.0137 0.1002 0.1202
Leishmania major cathepsin L-like protease 0.0437 0.421 1
Onchocerca volvulus 0.0437 0.421 1
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Loa Loa (eye worm) hypothetical protein 0.0437 0.421 0.5053
Onchocerca volvulus Cathepsin L homolog 0.0437 0.421 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0437 0.421 1
Entamoeba histolytica cysteine protease, putative 0.0099 0.0593 0.141
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0099 0.0593 0.0712
Loa Loa (eye worm) zinc finger protein 0.0373 0.3527 0.4233
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0437 0.421 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.03 0.2744 0.3293
Brugia malayi Papain family cysteine protease containing protein 0.0099 0.0593 0.0712
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.2653 0.6301
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0099 0.0593 0.1409
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0437 0.421 1
Brugia malayi Papain family cysteine protease containing protein 0.0099 0.0593 0.0712
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0823 0.8331 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0437 0.421 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0179 0.0215
Plasmodium vivax serine-repeat antigen (SERA) 0.0099 0.0593 0.1409
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0126 0.0151
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0179 0.0215
Plasmodium vivax vivapain-2 0.0437 0.421 1
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 0.0593 0.1409
Loa Loa (eye worm) fibroinase 0.0437 0.421 0.5053
Echinococcus granulosus cathepsin L 0.0099 0.0593 0.0712
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0823 0.8331 1
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0099 0.0593 0.1409
Trypanosoma cruzi cruzipain precursor, putative 0.0137 0.1002 0.1202
Echinococcus multilocularis cathepsin b 0.0823 0.8331 0.8331
Trypanosoma cruzi major cysteine proteinase, putative 0.0099 0.0593 0.0712
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0099 0.0593 0.1409
Leishmania major cysteine peptidase A (CPA) 0.0437 0.421 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.2653 0.6301
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0126 0.0151
Brugia malayi Cathepsin L-like precursor 0.0437 0.421 0.5053
Brugia malayi cathepsin L precursor 0.0099 0.0593 0.0712
Echinococcus multilocularis cysteine protease 0.0437 0.421 0.421
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 0.0593 0.1409
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.0593 0.1409
Trypanosoma cruzi cysteine peptidase, putative 0.0437 0.421 0.5053
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0437 0.421 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0126 0.0126
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0437 0.421 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0126 0.0151
Onchocerca volvulus 0.0437 0.421 1
Loa Loa (eye worm) hypothetical protein 0.0823 0.8331 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0437 0.421 0.5053
Echinococcus multilocularis geminin 0.0205 0.1722 0.1722
Entamoeba histolytica cysteine proteinase, putative 0.0236 0.206 0.4892
Toxoplasma gondii cathepsin CPC2 0.0099 0.0593 0.1409
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0099 0.0593 0.0712
Onchocerca volvulus Cathepsin F homolog 0.0437 0.421 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0437 0.421 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0323 0.2987 0.7094
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.2653 0.6301
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0236 0.206 0.4892
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0099 0.0593 0.1409
Brugia malayi Cathepsin L-like precursor 0.0437 0.421 0.5053
Schistosoma mansoni cathepsin S (C01 family) 0.0099 0.0593 0.0712
Plasmodium vivax vivapain-2 0.0437 0.421 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0137 0.1002 0.1203
Loa Loa (eye worm) hypothetical protein 0.0099 0.0593 0.0712
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0099 0.0593 0.1409
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0099 0.0593 0.0712
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0236 0.206 0.2472
Brugia malayi fibroinase precursor 0.0099 0.0593 0.0712
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.03 0.2744 0.3293
Entamoeba histolytica cysteine protease, putative 0.0099 0.0593 0.141
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 0.0593 0.1409
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0099 0.0593 0.1409
Plasmodium vivax vivapain-1 0.0236 0.206 0.4892
Loa Loa (eye worm) hypothetical protein 0.0099 0.0593 0.0712
Toxoplasma gondii preprocathepsin c precursor, putative 0.0099 0.0593 0.1409
Trypanosoma cruzi cysteine peptidase, putative 0.0437 0.421 0.5053
Trypanosoma cruzi cysteine proteinase, putative 0.0236 0.206 0.2472
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0099 0.0593 0.1409
Brugia malayi Papain family cysteine protease containing protein 0.0099 0.0593 0.0712
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0099 0.0593 0.1409
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0823 0.8331 1
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0099 0.0593 0.1409
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0437 0.421 1
Brugia malayi Cathepsin L-like precursor 0.03 0.2744 0.3293
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0323 0.2987 0.7094
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0437 0.421 1
Trypanosoma cruzi cruzipain precursor, putative 0.0437 0.421 0.5053
Onchocerca volvulus 0.0437 0.421 1
Trypanosoma cruzi cysteine peptidase, putative 0.0437 0.421 0.5053
Loa Loa (eye worm) cathepsin B 0.0323 0.2987 0.3585
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0099 0.0593 0.1409
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0126 0.0151
Echinococcus multilocularis cathepsin L 0.0236 0.206 0.206
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0437 0.421 0.421
Leishmania major cathepsin L-like protease 0.0437 0.421 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0099 0.0593 0.0712
Giardia lamblia Cathepsin B precursor 0.0323 0.2987 1
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0099 0.0593 0.141
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0323 0.2987 0.3585
Leishmania major cathepsin L-like protease 0.0437 0.421 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0099 0.0593 0.0712
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0099 0.0593 0.1409
Brugia malayi Cathepsin L-like precursor 0.0437 0.421 0.5053
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Loa Loa (eye worm) hypothetical protein 0.03 0.2744 0.3293
Trypanosoma cruzi cysteine proteinase, putative 0.0236 0.206 0.2472
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.2653 0.6301
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0099 0.0593 0.1409
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0437 0.421 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.1059 0.4227
Giardia lamblia Cathepsin B precursor 0.0323 0.2987 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0236 0.206 0.2472
Brugia malayi Papain family cysteine protease containing protein 0.0437 0.421 0.5053
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0437 0.421 1
Onchocerca volvulus 0.03 0.2744 0.6517
Loa Loa (eye worm) hypothetical protein 0.0099 0.0593 0.0712
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0437 0.421 1
Echinococcus granulosus cathepsin l1 0.0437 0.421 0.5053
Entamoeba histolytica cysteine proteinase 2 0.0236 0.206 0.4892
Echinococcus multilocularis zinc finger transcription factor gli2 0.0373 0.3527 0.3527
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0437 0.421 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0437 0.421 0.421
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.1059 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Trypanosoma cruzi cysteine protease, putative 0.0236 0.206 0.2472
Trypanosoma cruzi major cysteine proteinase, putative 0.0099 0.0593 0.0712
Echinococcus granulosus cathepsin b 0.0823 0.8331 1
Entamoeba histolytica cysteine protease, putative 0.0099 0.0593 0.141
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0099 0.0593 0.1409
Leishmania major cathepsin L-like protease 0.0437 0.421 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0099 0.0593 0.0712
Onchocerca volvulus Cathepsin L homolog 0.0099 0.0593 0.1409
Plasmodium vivax vivapain-3 0.0236 0.206 0.4892
Brugia malayi cathepsin L-like cysteine proteinase 0.0099 0.0593 0.0712
Echinococcus granulosus cathepsin l1 0.03 0.2744 0.3293
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0437 0.421 1
Entamoeba histolytica hypothetical protein 0.0099 0.0593 0.141
Entamoeba histolytica cysteine proteinase, putative 0.03 0.2744 0.6517
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0099 0.0593 0.141
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 0.0593 0.1409
Brugia malayi Papain family cysteine protease containing protein 0.0236 0.206 0.2472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 0.0593 0.1409
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0823 0.8331 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0236 0.206 0.4892
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0437 0.421 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0126 0.0151
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0099 0.0593 0.0712
Loa Loa (eye worm) hypothetical protein 0.0099 0.0593 0.0712
Echinococcus multilocularis cathepsin L cysteine protease 0.0437 0.421 0.421
Plasmodium vivax unspecified product 0.0099 0.0593 0.1409
Loa Loa (eye worm) hypothetical protein 0.006 0.0179 0.0214
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0437 0.421 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Loa Loa (eye worm) hypothetical protein 0.03 0.2744 0.3293
Toxoplasma gondii cathepsin CPC1 0.0099 0.0593 0.1409
Onchocerca volvulus Cathepsin L homolog 0.0437 0.421 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.1002 0.1202
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0236 0.206 0.4892
Leishmania major cathepsin L-like protease 0.0437 0.421 1
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Schistosoma mansoni hypothetical protein 0.0205 0.1722 0.2067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.03 0.2744 0.6517
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.2653 0.6302
Entamoeba histolytica cysteine proteinase, putative 0.0236 0.206 0.4892
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0099 0.0593 0.0712
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0099 0.0593 0.1409
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0437 0.421 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0126 0.0151
Onchocerca volvulus 0.0437 0.421 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0437 0.421 0.5053
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0099 0.0593 0.1409
Plasmodium falciparum cysteine proteinase falcipain 1 0.0236 0.206 0.4054
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0437 0.421 0.5053
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Echinococcus multilocularis cathepsin L 0.0099 0.0593 0.0593
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0126 0.0126
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.2653 0.6302
Brugia malayi Cathepsin L-like precursor 0.0437 0.421 0.5053
Plasmodium vivax unspecified product 0.0137 0.1002 0.2379
Entamoeba histolytica cysteine protease, putative 0.0437 0.421 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0099 0.0593 0.0712
Echinococcus granulosus cysteine protease 0.0236 0.206 0.2472
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.2653 0.6301
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Entamoeba histolytica cysteine protease, putative 0.0099 0.0593 0.141
Entamoeba histolytica cysteine protease, putative 0.0236 0.206 0.4892
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2504 1
Leishmania major cathepsin L-like protease 0.0437 0.421 1
Echinococcus multilocularis cysteine protease 0.0437 0.421 0.421
Schistosoma mansoni cathepsin s 0.0137 0.1002 0.1203
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0137 0.1002 0.1203
Echinococcus multilocularis cathepsin L cysteine protease 0.0437 0.421 0.421
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0437 0.421 1
Leishmania major cathepsin L-like protease 0.0437 0.421 1
Loa Loa (eye worm) cysteine protease 0.0437 0.421 0.5053
Brugia malayi Cathepsin L-like precursor 0.03 0.2744 0.3293
Echinococcus granulosus cathepsin L cysteine protease 0.0236 0.206 0.2472
Echinococcus granulosus geminin 0.0205 0.1722 0.2067
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0437 0.421 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0437 0.421 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0292 0.2653 0.8606
Plasmodium vivax serine-repeat antigen (SERA) 0.0099 0.0593 0.1409
Trypanosoma cruzi cysteine peptidase, putative 0.0137 0.1002 0.1202
Brugia malayi Cathepsin L-like precursor 0.0137 0.1002 0.1203
Loa Loa (eye worm) hypothetical protein 0.0137 0.1002 0.1202
Plasmodium vivax unspecified product 0.0236 0.206 0.4892
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.03 0.2744 0.6517
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0437 0.421 1
Onchocerca volvulus 0.0099 0.0593 0.1409
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0437 0.421 1
Onchocerca volvulus 0.0437 0.421 1
Entamoeba histolytica cysteine proteinase, putative 0.0437 0.421 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0437 0.421 1
Toxoplasma gondii cathepsin B 0.0323 0.2987 0.7094
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0179 0.0214
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0236 0.206 0.4892
Echinococcus multilocularis cathepsin b 0.0823 0.8331 0.8331
Loa Loa (eye worm) ctsf protein 0.0437 0.421 0.5053
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0099 0.0593 0.1409
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0236 0.206 0.2472
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.1059 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0.368 uM PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SUFU in a luminescent reporter assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 0.794 uM PubChem BioAssay. Dose response validation of uHTS Gli-SUFU antagonist hits in a Wnt3a luminescent reporter assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 85.389 uM PubChem BioAssay. Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 85.389 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay to identify inhibitors of COUP-TFII (NR2F2). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0026 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 0.0093 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 1.1175 uM PubChem BioAssay. qHTS screen for small molecules that inhibit ELG1-dependent DNA repair: Hit Confirmation with Unstimulated Viability Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.1577 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6007 uM PubChem BioAssay. HTS assay for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1: Hit Confirmation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7111 uM PubChem BioAssay. qHTS screen for small molecules that inhibit ELG1-dependent DNA repair: Hit Confirmation with MMS Viability. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.3383 uM PubChem BioAssay. qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1: Hit Confirmation using MMS Stimulated ELG1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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