Detailed information for compound 1344945

Basic information

Technical information
  • TDR Targets ID: 1344945
  • Name: N-[1-(1-adamantyl)ethyl]-2-[[5-(3-piperidin-1 -ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfa nyl]acetamide
  • MW: 544.729 | Formula: C27H36N4O4S2
  • H donors: 1 H acceptors: 5 LogP: 4.93 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(NC(C12CC3CC(C2)CC(C1)C3)C)CSc1nnc(o1)c1cccc(c1)S(=O)(=O)N1CCCCC1
  • InChi: 1S/C27H36N4O4S2/c1-18(27-14-19-10-20(15-27)12-21(11-19)16-27)28-24(32)17-36-26-30-29-25(35-26)22-6-5-7-23(13-22)37(33,34)31-8-3-2-4-9-31/h5-7,13,18-21H,2-4,8-12,14-17H2,1H3,(H,28,32)
  • InChiKey: QSYQAZYHTJMKPZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-(1-adamantyl)ethyl]-2-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
  • N-[1-(1-adamantyl)ethyl]-2-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
  • N-[1-(1-adamantyl)ethyl]-2-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
  • N-[1-(1-adamantyl)ethyl]-2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide
  • T5257726
  • MLS000566060
  • SMR000153200

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha 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
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
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 alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0404 0.3315 0.3184
Loa Loa (eye worm) fibroinase 0.059 0.5445 0.5356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Echinococcus granulosus cathepsin L cysteine protease 0.0317 0.2321 0.2171
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0186 0.0829 0.065
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0948 0.0771
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0396 0.3225 0.5775
Leishmania major cathepsin L-like protease 0.059 0.5445 0.5547
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.059 0.5445 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0396 0.3225 0.1843
Onchocerca volvulus Huntingtin homolog 0.0148 0.039 0.0717
Leishmania major cathepsin L-like protease 0.0746 0.7227 1
Loa Loa (eye worm) hypothetical protein 0.0989 1 1
Toxoplasma gondii cathepsin CPL 0.059 0.5445 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0948 0.0771
Entamoeba histolytica cysteine proteinase, putative 0.0317 0.2321 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0404 0.3315 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0989 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0746 0.7227 1
Entamoeba histolytica cysteine proteinase, putative 0.0317 0.2321 0.4054
Schistosoma mansoni cathepsin s 0.0186 0.0829 0.065
Brugia malayi Papain family cysteine protease containing protein 0.0317 0.2321 0.2171
Loa Loa (eye worm) hypothetical protein 0.0404 0.3315 0.3184
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0396 0.3225 0.3093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.059 0.5445 1
Plasmodium vivax vivapain-2 0.059 0.5445 1
Trypanosoma cruzi cysteine peptidase, putative 0.0746 0.7227 0.7172
Trypanosoma cruzi cysteine peptidase, putative 0.0746 0.7227 0.7172
Loa Loa (eye worm) hypothetical protein 0.0186 0.0829 0.065
Brugia malayi hypothetical protein 0.0148 0.039 0.0202
Echinococcus multilocularis cathepsin L cysteine protease 0.059 0.5445 0.5356
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.059 0.5445 0.5356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Trypanosoma cruzi cysteine peptidase, putative 0.059 0.5445 0.5356
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0948 0.0771
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0635 0.0451
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0746 0.7227 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.2321 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0746 0.7227 1
Trypanosoma cruzi cysteine peptidase, putative 0.0317 0.2321 0.2171
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0746 0.7227 1
Leishmania major cathepsin L-like protease 0.0746 0.7227 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0746 0.7227 1
Trypanosoma cruzi cysteine peptidase, putative 0.0186 0.0829 0.065
Onchocerca volvulus 0.059 0.5445 1
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054
Onchocerca volvulus Huntingtin homolog 0.0148 0.039 0.0717
Leishmania major cathepsin L-like protease 0.059 0.5445 0.5547
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.059 0.5445 1
Trypanosoma cruzi cruzipain precursor, putative 0.0186 0.0829 0.065
Onchocerca volvulus Cathepsin L homolog 0.059 0.5445 1
Brugia malayi Cathepsin L-like precursor 0.059 0.5445 0.5356
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0989 1 1
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.056 0.5097 0.5001
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Brugia malayi Cathepsin L-like precursor 0.059 0.5445 0.5356
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0746 0.7227 1
Echinococcus granulosus cathepsin l1 0.059 0.5445 0.5356
Echinococcus granulosus cysteine protease 0.0317 0.2321 0.2171
Trypanosoma cruzi major cysteine proteinase, putative 0.0287 0.1974 0.1817
Echinococcus multilocularis cysteine protease 0.059 0.5445 0.5356
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054
Onchocerca volvulus Cathepsin L homolog 0.059 0.5445 1
Onchocerca volvulus 0.0131 0.0192 0.0353
Echinococcus multilocularis cathepsin L 0.0317 0.2321 0.2171
Giardia lamblia Cathepsin B precursor 0.0396 0.3225 1
Brugia malayi Cathepsin L-like precursor 0.0186 0.0829 0.065
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.059 0.5445 0.5356
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.059 0.5445 1
Onchocerca volvulus Cathepsin F homolog 0.059 0.5445 1
Leishmania major cathepsin L-like protease 0.0746 0.7227 1
Echinococcus multilocularis cysteine protease 0.059 0.5445 0.5356
Leishmania major cathepsin L-like protease 0.059 0.5445 0.5547
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Giardia lamblia Cathepsin B precursor 0.0396 0.3225 1
Brugia malayi Cathepsin L-like precursor 0.059 0.5445 0.5356
Echinococcus granulosus cathepsin l cysteine peptidase 0.059 0.5445 0.5356
Echinococcus granulosus cathepsin b 0.0989 1 1
Onchocerca volvulus Cathepsin L homolog 0.0131 0.0192 0.0353
Loa Loa (eye worm) papain family cysteine protease containing protein 0.059 0.5445 0.5356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Entamoeba histolytica cysteine proteinase 2 0.0317 0.2321 0.4054
Echinococcus granulosus cathepsin b 0.0989 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.059 0.5445 1
Entamoeba histolytica cysteine proteinase, putative 0.0317 0.2321 0.4054
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054
Brugia malayi Cathepsin L-like precursor 0.059 0.5445 0.5356
Echinococcus multilocularis cathepsin b 0.0989 1 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0635 0.0451
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1874 0.5
Onchocerca volvulus 0.059 0.5445 1
Trypanosoma cruzi cruzipain precursor, putative 0.0746 0.7227 0.7172
Brugia malayi Cathepsin L-like precursor 0.059 0.5445 0.5356
Loa Loa (eye worm) cathepsin B 0.0396 0.3225 0.3093
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0989 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0317 0.2321 0.2171
Trypanosoma cruzi cysteine proteinase, putative 0.0317 0.2321 0.2171
Plasmodium vivax vivapain-2 0.059 0.5445 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.059 0.5445 1
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054
Loa Loa (eye worm) hypothetical protein 0.0404 0.3315 0.3184
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.508 0.4984
Onchocerca volvulus 0.059 0.5445 1
Schistosoma mansoni cathepsin F (C01 family) 0.059 0.5445 0.5356
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0746 0.7227 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0317 0.2321 0.2171
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0317 0.2321 0.2171
Schistosoma mansoni cathepsin F (C01 family) 0.059 0.5445 0.5356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.2321 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0746 0.7227 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Entamoeba histolytica cysteine protease, putative 0.059 0.5445 1
Echinococcus multilocularis cathepsin L cysteine protease 0.059 0.5445 0.5356
Plasmodium vivax vivapain-1 0.0317 0.2321 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.059 0.5445 1
Brugia malayi Papain family cysteine protease containing protein 0.0317 0.2321 0.2171
Brugia malayi cathepsin F-like cysteine proteinase 0.0186 0.0829 0.065
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0746 0.7227 1
Onchocerca volvulus 0.059 0.5445 1
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.508 0.4984
Loa Loa (eye worm) ctsf protein 0.059 0.5445 0.5356
Leishmania major cathepsin L-like protease 0.059 0.5445 0.5547
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0989 1 1
Echinococcus multilocularis cathepsin b 0.0989 1 1
Plasmodium vivax unspecified product 0.0186 0.0829 0.1214
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0396 0.3225 0.3093
Loa Loa (eye worm) hypothetical protein 0.0148 0.039 0.0202
Trypanosoma cruzi cysteine peptidase, putative 0.0746 0.7227 0.7172
Plasmodium vivax unspecified product 0.0317 0.2321 0.4054
Onchocerca volvulus 0.059 0.5445 1
Echinococcus granulosus neuropeptide s receptor 0.0558 0.508 0.4984
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054
Loa Loa (eye worm) hypothetical protein 0.0186 0.0829 0.065
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0948 0.0771
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0404 0.3315 0.5946
Brugia malayi Cathepsin L-like cysteine proteinase 0.0404 0.3315 0.3184
Echinococcus granulosus cathepsin L cysteine proteinase 0.059 0.5445 0.5356
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0186 0.0829 0.065
Brugia malayi Papain family cysteine protease containing protein 0.059 0.5445 0.5356
Onchocerca volvulus 0.0404 0.3315 0.6089
Brugia malayi Cathepsin L-like precursor 0.0404 0.3315 0.3184
Onchocerca volvulus 0.059 0.5445 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.059 0.5445 1
Trypanosoma cruzi cysteine protease, putative 0.0317 0.2321 0.2171
Plasmodium falciparum cysteine proteinase falcipain 1 0.0317 0.2321 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.059 0.5445 1
Plasmodium vivax vivapain-3 0.0317 0.2321 0.4054
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.508 0.4984
Echinococcus multilocularis cathepsin l cysteine peptidase 0.059 0.5445 0.5356
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0317 0.2321 0.2171
Brugia malayi cathepsin L-like precursor 0.0404 0.3315 0.3184
Giardia lamblia Cathepsin B precursor 0.0396 0.3225 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0746 0.7227 1
Echinococcus granulosus cathepsin l1 0.0404 0.3315 0.3184
Loa Loa (eye worm) hypothetical protein 0.0148 0.039 0.0202
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.059 0.5445 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Brugia malayi Cathepsin L-like precursor 0.059 0.5445 0.5356
Loa Loa (eye worm) hypothetical protein 0.059 0.5445 0.5356
Plasmodium falciparum cysteine proteinase falcipain 3 0.059 0.5445 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0317 0.2321 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.059 0.5445 1
Loa Loa (eye worm) cysteine protease 0.059 0.5445 0.5356
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0404 0.3315 0.3184
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.5445 1
Brugia malayi Cathepsin L-like precursor 0.0404 0.3315 0.3184
Leishmania major cathepsin L-like protease 0.059 0.5445 0.5547
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0948 0.0771
Leishmania major cysteine peptidase A (CPA) 0.059 0.5445 0.5547
Loa Loa (eye worm) hypothetical protein 0.0186 0.0829 0.065
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0746 0.7227 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0404 0.3315 0.5946
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.059 0.5445 1
Entamoeba histolytica cysteine proteinase, putative 0.0317 0.2321 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.059 0.5445 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0317 0.2321 0.2171
Plasmodium falciparum cysteine proteinase falcipain 2b 0.059 0.5445 1
Entamoeba histolytica cysteine proteinase, putative 0.059 0.5445 1
Echinococcus granulosus cathepsin L 0.0317 0.2321 0.2171
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0989 1 1
Onchocerca volvulus 0.059 0.5445 1
Toxoplasma gondii cathepsin B 0.0396 0.3225 0.5775
Entamoeba histolytica cysteine protease, putative 0.0317 0.2321 0.4054

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 2.0787 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) = 2.8184 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) 7.9433 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 12.5893 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) 16.3601 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) 25.929 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) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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