Detailed information for compound 1406282

Basic information

Technical information
  • TDR Targets ID: 1406282
  • Name: N-(3,5-dichlorophenyl)-4-(4-fluorophenyl)-4-o xobutanamide
  • MW: 340.176 | Formula: C16H12Cl2FNO2
  • H donors: 1 H acceptors: 2 LogP: 3.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)c1ccc(cc1)F
  • InChi: 1S/C16H12Cl2FNO2/c17-11-7-12(18)9-14(8-11)20-16(22)6-5-15(21)10-1-3-13(19)4-2-10/h1-4,7-9H,5-6H2,(H,20,22)
  • InChiKey: MYAUPAIEEGDNRO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,5-dichlorophenyl)-4-(4-fluorophenyl)-4-oxo-butanamide
  • N-(3,5-dichlorophenyl)-4-(4-fluorophenyl)-4-keto-butyramide
  • ZINC00451073
  • MLS000572829
  • SMR000194690

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0123 0.0076
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.1083 0.1917
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0179 0.1083 0.1041
Echinococcus multilocularis cpg binding protein 0.0037 0.0161 0.016
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0047
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0784 0.4986 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0179 0.1083 0.1975
Brugia malayi Papain family cysteine protease containing protein 0.0179 0.1083 0.1083
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0047 0.0047
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.1083 0.1917
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0318 0.0332
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0123 0.0122
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0313 0.0313
Schistosoma mansoni cathepsin F (C01 family) 0.0784 0.4986 0.4962
Echinococcus granulosus cathepsin l cysteine peptidase 0.0784 0.4986 0.4986
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0784 0.4986 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0047 0.0047
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0784 0.4986 1
Entamoeba histolytica hypothetical protein 0.0179 0.1083 0.1837
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0221 0.022
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0221 0.0221
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0784 0.4986 1
Entamoeba histolytica cysteine proteinase, putative 0.0424 0.2666 0.5146
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0221 0.022
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0318 0.1041
Trypanosoma brucei cysteine peptidase C (CPC) 0.0606 0.3841 0.7628
Entamoeba histolytica cysteine protease, putative 0.0179 0.1083 0.1837
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0179 0.1083 0.1041
Entamoeba histolytica cysteine proteinase, putative 0.0784 0.4986 1
Brugia malayi Cathepsin L-like precursor 0.0784 0.4986 0.4986
Schistosoma mansoni hypothetical protein 0.0043 0.0205 0.0158
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0205 0.0204
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0123 0.0122
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Giardia lamblia Cathepsin B precursor 0.0606 0.3841 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0158 0.0157
Brugia malayi Cathepsin L-like precursor 0.0539 0.3404 0.3404
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0784 0.4986 1
Trypanosoma cruzi cysteine peptidase, putative 0.0784 0.4986 0.4906
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.2666 0.5194
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0205 0.0204
Loa Loa (eye worm) fibroinase 0.0784 0.4986 0.4986
Schistosoma mansoni hypothetical protein 0.0041 0.019 0.0143
Schistosoma mansoni cathepsin S (C01 family) 0.0179 0.1083 0.1041
Loa Loa (eye worm) hypothetical protein 0.0036 0.0158 0.0157
Echinococcus granulosus cathepsin l1 0.0784 0.4986 0.4986
Trypanosoma cruzi major cysteine proteinase, putative 0.0179 0.1083 0.094
Brugia malayi cathepsin Z-like cysteine proteinase 0.0179 0.1083 0.1083
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0179 0.1083 0.1083
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0179 0.1083 0.1975
Echinococcus multilocularis GPCR, family 2 0.0019 0.0047 0.0047
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0179 0.1083 0.1083
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0179 0.1083 0.1917
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0179 0.1083 0.1975
Schistosoma mansoni hypothetical protein 0.0205 0.1246 0.1204
Mycobacterium leprae Probable lipase LipE 0.0036 0.0158 0.5
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0179 0.1083 0.1975
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0784 0.4986 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0784 0.4986 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0158 0.0157
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0424 0.2666 0.2631
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0424 0.2666 0.2548
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0245 0.1507 0.1507
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0313 0.0313
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3114 0.3114
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0784 0.4986 0.4986
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0179 0.1083 0.1041
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0179 0.1083 0.1917
Onchocerca volvulus 0.0784 0.4986 1
Trypanosoma cruzi cruzipain precursor, putative 0.0245 0.1507 0.137
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0179 0.1083 0.1837
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.1083 0.1917
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3114 0.3114
Loa Loa (eye worm) hypothetical protein 0.0179 0.1083 0.1083
Echinococcus multilocularis cathepsin L cysteine protease 0.0784 0.4986 0.4986
Brugia malayi Cathepsin L-like precursor 0.0784 0.4986 0.4986
Brugia malayi beta-lactamase 0.0036 0.0158 0.0158
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0148 0.0148
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0047 0.0047
Plasmodium vivax unspecified product 0.0245 0.1507 0.2845
Toxoplasma gondii cathepsin CPC2 0.0179 0.1083 0.1975
Entamoeba histolytica cysteine proteinase, putative 0.0424 0.2666 0.5146
Entamoeba histolytica cysteine protease, putative 0.0179 0.1083 0.1837
Entamoeba histolytica cysteine protease, putative 0.0179 0.1083 0.1837
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0318 0.0317
Brugia malayi cathepsin L precursor 0.0179 0.1083 0.1083
Trichomonas vaginalis set domain proteins, putative 0.0239 0.1465 0.2708
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0318 0.0272
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0784 0.4986 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0424 0.2666 0.4054
Echinococcus granulosus GPCR family 2 0.0019 0.0047 0.0047
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0179 0.1083 0.1975
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Loa Loa (eye worm) hypothetical protein 0.0036 0.0158 0.0157
Brugia malayi Pre-SET motif family protein 0.0031 0.0123 0.0123
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0179 0.1083 0.1975
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0784 0.4986 1
Onchocerca volvulus Cathepsin F homolog 0.0784 0.4986 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0784 0.4986 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.2666 0.5194
Entamoeba histolytica cysteine protease, putative 0.0179 0.1083 0.1837
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0179 0.1083 0.1917
Brugia malayi Papain family cysteine protease containing protein 0.0179 0.1083 0.1083
Leishmania major cysteine peptidase A (CPA) 0.0784 0.4986 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0179 0.1083 0.1041
Loa Loa (eye worm) hypothetical protein 0.0245 0.1507 0.1506
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0784 0.4986 1
Onchocerca volvulus 0.0036 0.0158 0.0072
Schistosoma mansoni cathepsin F (C01 family) 0.0784 0.4986 0.4962
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0047 0.0047
Plasmodium vivax vivapain-1 0.0424 0.2666 0.5228
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0407 0.0361
Onchocerca volvulus 0.0539 0.3404 0.6747
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0158 0.0158
Echinococcus granulosus cpg binding protein 0.0037 0.0161 0.016
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Trypanosoma cruzi cruzipain precursor, putative 0.0784 0.4986 0.4906
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0318 0.1274
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0539 0.3404 0.6723
Trichomonas vaginalis glutaminase, putative 0.0274 0.1697 0.3188
Onchocerca volvulus 0.0179 0.1083 0.1975
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0179 0.1083 0.1917
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0158 0.0157
Loa Loa (eye worm) hypothetical protein 0.0539 0.3404 0.3403
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0221 0.022
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0606 0.3841 0.3812
Trypanosoma cruzi cysteine protease, putative 0.0424 0.2666 0.2548
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0179 0.1083 0.1917
Brugia malayi Cathepsin L-like cysteine proteinase 0.0539 0.3404 0.3404
Brugia malayi Cathepsin L-like precursor 0.0245 0.1507 0.1507
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.1416 1
Echinococcus multilocularis cathepsin L 0.0424 0.2666 0.2665
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0318 0.1041
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0179 0.1083 0.1083
Plasmodium vivax vivapain-2 0.0784 0.4986 1
Schistosoma mansoni cathepsin C 0.0179 0.1083 0.1041
Entamoeba histolytica cysteine proteinase, putative 0.0539 0.3404 0.6691
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Trypanosoma cruzi cysteine peptidase, putative 0.0784 0.4986 0.4906
Brugia malayi beta-lactamase family protein 0.0036 0.0158 0.0158
Brugia malayi Papain family cysteine protease containing protein 0.0784 0.4986 0.4986
Onchocerca volvulus Cathepsin L homolog 0.0179 0.1083 0.1975
Schistosoma mansoni glutaminase 0.0274 0.1697 0.1657
Leishmania major cathepsin L-like protease 0.0784 0.4986 1
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0784 0.4986 1
Mycobacterium ulcerans glutaminase 0.0274 0.1697 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0313 0.0312
Entamoeba histolytica cysteine proteinase, putative 0.0784 0.4986 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0784 0.4986 1
Schistosoma mansoni cathepsin B (C01 family) 0.0179 0.1083 0.1041
Loa Loa (eye worm) ctsf protein 0.0784 0.4986 0.4986
Giardia lamblia Cathepsin B precursor 0.0606 0.3841 1
Onchocerca volvulus 0.0784 0.4986 1
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Trichomonas vaginalis conserved hypothetical protein 0.0179 0.1083 0.1917
Brugia malayi fibroinase precursor 0.0179 0.1083 0.1083
Trypanosoma cruzi cysteine peptidase, putative 0.0424 0.2666 0.2548
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0539 0.3404 0.6723
Echinococcus granulosus cathepsin L cysteine proteinase 0.0784 0.4986 0.4986
Trichomonas vaginalis conserved hypothetical protein 0.0179 0.1083 0.1917
Toxoplasma gondii ABC1 family protein 0.0036 0.0158 0.0072
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0424 0.2666 0.2631
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0784 0.4986 0.4986
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.1083 0.1917
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Toxoplasma gondii cathepsin CPL 0.0784 0.4986 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0179 0.1083 0.1083
Trypanosoma cruzi cysteine proteinase, putative 0.0424 0.2666 0.2548
Leishmania major cathepsin L-like protease 0.0784 0.4986 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0179 0.1083 0.1917
Plasmodium vivax vivapain-3 0.0424 0.2666 0.5228
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0606 0.3841 0.7628
Leishmania major cathepsin L-like protease 0.0784 0.4986 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0179 0.1083 0.1975
Brugia malayi Papain family cysteine protease containing protein 0.0179 0.1083 0.1083
Loa Loa (eye worm) hypothetical protein 0.006 0.0313 0.0312
Onchocerca volvulus 0.0784 0.4986 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0158 0.0157
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0318 0.0272
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0221 0.0174
Brugia malayi beta-lactamase family protein 0.0036 0.0158 0.0158
Loa Loa (eye worm) hypothetical protein 0.0036 0.0158 0.0157
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0606 0.3841 0.7628
Echinococcus multilocularis cathepsin L 0.0179 0.1083 0.1083
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Onchocerca volvulus 0.0035 0.0148 0.0052
Leishmania major cathepsin L-like protease 0.0784 0.4986 1
Entamoeba histolytica cysteine proteinase, putative 0.0424 0.2666 0.5146
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0179 0.1083 0.1975
Onchocerca volvulus 0.0784 0.4986 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0424 0.2666 0.5146
Schistosoma mansoni cpg binding protein 0.0035 0.0148 0.0101
Brugia malayi cathepsin Z-like cysteine proteinase 0.0179 0.1083 0.1083
Entamoeba histolytica cysteine proteinase, putative 0.0424 0.2666 0.5146
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0784 0.4986 1
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Echinococcus granulosus geminin 0.0205 0.1246 0.1245
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0245 0.1507 0.1506
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.2666 0.5194
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0784 0.4986 1
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0318 0.0402
Schistosoma mansoni hypothetical protein 0.0205 0.1246 0.1204
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0179 0.1083 0.1041
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.2666 0.5194
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0784 0.4986 0.4986
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0179 0.1083 0.1917
Echinococcus multilocularis cysteine protease 0.0784 0.4986 0.4986
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Brugia malayi hypothetical protein 0.0043 0.0205 0.0205
Onchocerca volvulus 0.0239 0.1465 0.276
Trypanosoma cruzi cysteine peptidase, putative 0.0784 0.4986 0.4906
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0179 0.1083 0.1917
Onchocerca volvulus 0.0784 0.4986 1
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0179 0.1083 0.1975
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.1083 0.1917
Plasmodium vivax serine-repeat antigen (SERA) 0.0179 0.1083 0.1975
Plasmodium vivax unspecified product 0.0424 0.2666 0.5228
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0179 0.1083 0.1917
Echinococcus multilocularis cysteine protease 0.0784 0.4986 0.4986
Loa Loa (eye worm) hypothetical protein 0.0036 0.0158 0.0157
Brugia malayi cathepsin L-like cysteine proteinase 0.0179 0.1083 0.1083
Loa Loa (eye worm) hypothetical protein 0.0245 0.1507 0.1506
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0123 0.0076
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0784 0.4986 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0179 0.1083 0.1917
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0784 0.4986 1
Onchocerca volvulus 0.0036 0.0158 0.0072
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0784 0.4986 0.4986
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0179 0.1083 0.1975
Brugia malayi glutaminase DH11.1 0.0274 0.1697 0.1697
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0784 0.4986 1
Brugia malayi Cathepsin L-like precursor 0.0784 0.4986 0.4986
Toxoplasma gondii cathepsin B 0.0606 0.3841 0.7646
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0784 0.4986 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0123 0.0076
Loa Loa (eye worm) glutaminase 0.0274 0.1697 0.1696
Plasmodium vivax unspecified product 0.0179 0.1083 0.1975
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0179 0.1083 0.1917
Loa Loa (eye worm) hypothetical protein 0.0179 0.1083 0.1083
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Echinococcus granulosus cathepsin L 0.0424 0.2666 0.2665
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Trypanosoma cruzi cysteine peptidase, putative 0.0784 0.4986 0.4906
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0123 0.0122
Brugia malayi CXXC zinc finger family protein 0.0035 0.0148 0.0148
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0539 0.3404 0.3298
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0158 0.0111
Leishmania major cathepsin L-like protease 0.0784 0.4986 1
Entamoeba histolytica cysteine protease, putative 0.0784 0.4986 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0158 0.0072
Brugia malayi Papain family cysteine protease containing protein 0.0424 0.2666 0.2666
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0221 0.0174
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Giardia lamblia Cathepsin B precursor 0.0606 0.3841 1
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0784 0.4986 1
Loa Loa (eye worm) hypothetical protein 0.0539 0.3404 0.3403
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0221 0.022
Brugia malayi Papain family cysteine protease containing protein 0.0424 0.2666 0.2666
Schistosoma mansoni cathepsin F (C01 family) 0.0539 0.3404 0.3372
Brugia malayi Cathepsin L-like precursor 0.0784 0.4986 0.4986
Brugia malayi cathepsin F-like cysteine proteinase 0.0245 0.1507 0.1507
Leishmania major cathepsin L-like protease 0.0784 0.4986 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0158 0.0111
Loa Loa (eye worm) cathepsin B 0.0606 0.3841 0.3841
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0606 0.3841 0.3742
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0205 0.0158
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0784 0.4986 1
Brugia malayi Cathepsin L-like precursor 0.0539 0.3404 0.3404
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0424 0.2666 0.2631
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0179 0.1083 0.1837
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0179 0.1083 0.1083
Entamoeba histolytica cysteine proteinase 2 0.0424 0.2666 0.5146
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0047 0.0047
Echinococcus multilocularis cathepsin L cysteine protease 0.0784 0.4986 0.4986
Onchocerca volvulus 0.0784 0.4986 1
Loa Loa (eye worm) hypothetical protein 0.0539 0.3404 0.3403
Loa Loa (eye worm) hypothetical protein 0.0179 0.1083 0.1083
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0245 0.1507 0.1506
Echinococcus granulosus cysteine protease 0.0424 0.2666 0.2665
Loa Loa (eye worm) hypothetical protein 0.0036 0.0158 0.0157
Leishmania major cathepsin L-like protease 0.0784 0.4986 1
Loa Loa (eye worm) glutaminase 2 0.0274 0.1697 0.1696
Brugia malayi Cathepsin L-like precursor 0.0784 0.4986 0.4986
Onchocerca volvulus 0.0036 0.0158 0.0072
Echinococcus granulosus cathepsin L 0.0179 0.1083 0.1083
Echinococcus granulosus cathepsin l1 0.0539 0.3404 0.3403
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.1083 0.1917
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0179 0.1083 0.1041
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0784 0.4986 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0123 0.0122
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0318 0.0317
Schistosoma mansoni hypothetical protein 0.0494 0.3114 0.3081
Echinococcus multilocularis geminin 0.0205 0.1246 0.1245
Onchocerca volvulus 0.0784 0.4986 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0158 0.0157
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0179 0.1083 0.1975
Schistosoma mansoni cpg binding protein 0.0037 0.0161 0.0114
Schistosoma mansoni cathepsin s 0.0245 0.1507 0.1466
Toxoplasma gondii cathepsin CPC1 0.0179 0.1083 0.1975
Plasmodium vivax vivapain-2 0.0784 0.4986 1
Leishmania major cathepsin L-like protease 0.0784 0.4986 1
Brugia malayi Cathepsin L-like precursor 0.0784 0.4986 0.4986
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0179 0.1083 0.1041
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0356 0.0479
Brugia malayi Pre-SET motif family protein 0.021 0.1279 0.1279
Loa Loa (eye worm) hypothetical protein 0.0179 0.1083 0.1083
Loa Loa (eye worm) hypothetical protein 0.0179 0.1083 0.1083
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.1279 0.1278
Loa Loa (eye worm) cysteine protease 0.0784 0.4986 0.4986
Brugia malayi cathepsin L-like precursor 0.0539 0.3404 0.3404
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0123 0.0076
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0784 0.4986 1
Loa Loa (eye worm) hypothetical protein 0.0784 0.4986 0.4986
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0047 0.0047
Trypanosoma cruzi cysteine proteinase, putative 0.0424 0.2666 0.2548
Plasmodium falciparum cysteine proteinase falcipain 3 0.0784 0.4986 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.0179 0.1083 0.1975
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0179 0.1083 0.1041
Onchocerca volvulus Cathepsin L homolog 0.0784 0.4986 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0221 0.0174
Loa Loa (eye worm) hypothetical protein 0.0041 0.019 0.0189
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0318 0.1041
Onchocerca volvulus Cathepsin L homolog 0.0784 0.4986 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0221 0.022
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0784 0.4986 1
Entamoeba histolytica cysteine protease, putative 0.0424 0.2666 0.5146
Loa Loa (eye worm) hypothetical protein 0.0179 0.1083 0.1083
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0111 0.011
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.019 0.019
Entamoeba histolytica cysteine protease, putative 0.0179 0.1083 0.1837
Echinococcus granulosus cathepsin L cysteine protease 0.0424 0.2666 0.2665
Schistosoma mansoni cpg binding protein 0.0037 0.0161 0.0114
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0179 0.1083 0.1041
Trypanosoma cruzi major cysteine proteinase, putative 0.0179 0.1083 0.094
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0158 0.5
Entamoeba histolytica cysteine protease, putative 0.0179 0.1083 0.1837
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0784 0.4986 1
Trypanosoma cruzi cysteine peptidase, putative 0.0245 0.1507 0.137

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.1689 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) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 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) 4.6109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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) 56.2341 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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