Detailed information for compound 449118

Basic information

Technical information
  • TDR Targets ID: 449118
  • Name: 5-(3-methylbutyl)-2-[[1-methyl-4-[[4-[(E)-2-q uinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-c arbonyl]amino]-N-(2-morpholin-4-ylethyl)-1,3- thiazole-4-carboxamide
  • MW: 705.868 | Formula: C39H43N7O4S
  • H donors: 3 H acceptors: 5 LogP: 5.83 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(CCc1sc(nc1C(=O)NCCN1CCOCC1)NC(=O)c1cc(cn1C)NC(=O)c1ccc(cc1)/C=C/c1cnc2c(c1)cccc2)C
  • InChi: 1S/C39H43N7O4S/c1-26(2)8-15-34-35(38(49)40-16-17-46-18-20-50-21-19-46)43-39(51-34)44-37(48)33-23-31(25-45(33)3)42-36(47)29-13-11-27(12-14-29)9-10-28-22-30-6-4-5-7-32(30)41-24-28/h4-7,9-14,22-26H,8,15-21H2,1-3H3,(H,40,49)(H,42,47)(H,43,44,48)/b10-9+
  • InChiKey: WTXKSBDIXUGLBG-MDZDMXLPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-isopentyl-2-[[1-methyl-4-[[4-[(E)-2-(3-quinolyl)vinyl]benzoyl]amino]pyrrole-2-carbonyl]amino]-N-(2-morpholinoethyl)thiazole-4-carboxamide
  • 5-isopentyl-2-[[[1-methyl-4-[[oxo-[4-[(E)-2-(3-quinolyl)vinyl]phenyl]methyl]amino]-2-pyrrolyl]-oxomethyl]amino]-N-(2-morpholinoethyl)-4-thiazolecarboxamide
  • 5-(3-methylbutyl)-2-[[1-methyl-4-[[4-[(E)-2-quinolin-3-ylethenyl]phenyl]carbonylamino]pyrrol-2-yl]carbonylamino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
  • 5-isoamyl-2-[[1-methyl-4-[[4-[(E)-2-(3-quinolyl)vinyl]benzoyl]amino]pyrrole-2-carbonyl]amino]-N-(2-morpholinoethyl)thiazole-4-carboxamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi cysteine proteinase, putative 0.0079 0.0464 0.045
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0427 1
Echinococcus multilocularis cysteine protease 0.0211 0.1792 0.178
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0211 0.1792 0.1792
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0211 0.1792 0.523
Plasmodium vivax vivapain-3 0.0079 0.0464 0.2527
Onchocerca volvulus 0.0211 0.1792 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0427 0.1212
Echinococcus granulosus cathepsin L cysteine protease 0.0079 0.0464 0.045
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0211 0.1792 0.523
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0015 0.0015
Brugia malayi Papain family cysteine protease containing protein 0.0211 0.1792 0.1792
Brugia malayi cathepsin Z-like cysteine proteinase 0.0079 0.0464 0.0464
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0056 0.0227 0.0626
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0079 0.0464 0.2527
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0079 0.0464 0.0464
Plasmodium falciparum cysteine proteinase falcipain 1 0.0079 0.0464 0.0273
Onchocerca volvulus 0.0211 0.1792 1
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0211 0.1792 0.523
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0079 0.0464 0.0464
Echinococcus granulosus cathepsin l cysteine peptidase 0.0211 0.1792 0.178
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0211 0.1792 0.523
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Brugia malayi cathepsin L-like precursor 0.0211 0.1792 0.1792
Onchocerca volvulus 0.0211 0.1792 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0211 0.1792 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0211 0.1792 0.523
Brugia malayi Papain family cysteine protease containing protein 0.0079 0.0464 0.0464
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0211 0.1792 0.523
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0079 0.0464 0.1321
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0464 0.1321
Loa Loa (eye worm) hypothetical protein 0.0035 0.0015 0.0015
Onchocerca volvulus 0.0211 0.1792 1
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0079 0.0464 0.0273
Plasmodium vivax vivapain-1 0.0079 0.0464 0.2527
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0079 0.0464 0.2528
Loa Loa (eye worm) ctsf protein 0.0211 0.1792 0.1792
Leishmania major cathepsin L-like protease 0.0211 0.1792 0.523
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0427 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0079 0.0464 0.0464
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0079 0.0464 0.045
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Trypanosoma cruzi cysteine peptidase, putative 0.0211 0.1792 0.178
Plasmodium falciparum serine repeat antigen 7 0.0079 0.0464 0.0273
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0079 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.0211 0.1792 0.1792
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Echinococcus multilocularis neuropeptide s receptor 0.0455 0.4248 0.424
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Echinococcus granulosus cathepsin l1 0.0211 0.1792 0.178
Echinococcus granulosus cathepsin b 0.1026 1 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0076 0.0427 0.0427
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0211 0.1792 0.523
Echinococcus multilocularis cathepsin b 0.1026 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0211 0.1792 0.178
Plasmodium falciparum serine repeat antigen 8 0.0079 0.0464 0.0273
Brugia malayi Papain family cysteine protease containing protein 0.0079 0.0464 0.0464
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.0464 0.1321
Plasmodium vivax serine-repeat antigen (SERA) 0.0079 0.0464 0.2527
Echinococcus granulosus prolyl endopeptidase 0.0141 0.1082 0.1069
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.0464 0.1321
Echinococcus granulosus cysteine protease 0.0079 0.0464 0.045
Schistosoma mansoni cathepsin S (C01 family) 0.0079 0.0464 0.0464
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Echinococcus multilocularis cathepsin L cysteine protease 0.0211 0.1792 0.178
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0141 0.1082 0.3139
Entamoeba histolytica cysteine proteinase 1, putative 0.0079 0.0464 0.2528
Echinococcus multilocularis prolyl endopeptidase 0.0141 0.1082 0.1069
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0014 0.0014
Toxoplasma gondii cathepsin B 0.0372 0.3413 1
Plasmodium falciparum serine repeat antigen 1 0.0079 0.0464 0.0273
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0141 0.1082 0.1082
Onchocerca volvulus Prolyl endopeptidase homolog 0.0141 0.1082 0.6002
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0211 0.1792 1
Brugia malayi beta-lactamase 0.0035 0.0015 0.0015
Brugia malayi Papain family cysteine protease containing protein 0.0079 0.0464 0.0464
Trypanosoma cruzi oligopeptidase b 0.0056 0.0227 0.0213
Brugia malayi Cathepsin L-like precursor 0.0211 0.1792 0.1792
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0079 0.0464 0.0464
Plasmodium vivax vivapain-2 0.0211 0.1792 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0211 0.1792 0.523
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0079 0.0464 0.0464
Loa Loa (eye worm) cathepsin B 0.0372 0.3413 0.3413
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0211 0.1792 0.523
Trypanosoma cruzi cysteine peptidase, putative 0.0079 0.0464 0.045
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0211 0.1792 0.523
Echinococcus granulosus neuropeptide s receptor 0.0455 0.4248 0.424
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0079 0.0464 0.1321
Entamoeba histolytica cysteine proteinase, putative 0.0211 0.1792 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0079 0.0464 0.0464
Brugia malayi cathepsin L precursor 0.0079 0.0464 0.0464
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Trypanosoma cruzi cysteine protease, putative 0.0079 0.0464 0.045
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0427 0.5
Loa Loa (eye worm) fibroinase 0.0211 0.1792 0.1792
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Trypanosoma cruzi cysteine peptidase, putative 0.0211 0.1792 0.178
Echinococcus granulosus cathepsin L 0.0079 0.0464 0.045
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0427 0.5
Brugia malayi Papain family cysteine protease containing protein 0.0079 0.0464 0.0464
Loa Loa (eye worm) cysteine protease 0.0211 0.1792 0.1792
Loa Loa (eye worm) hypothetical protein 0.0049 0.0156 0.0156
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0079 0.0464 0.0464
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0079 0.0464 0.2527
Loa Loa (eye worm) hypothetical protein 0.0079 0.0464 0.0464
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Echinococcus multilocularis cysteine protease 0.0211 0.1792 0.178
Giardia lamblia Cathepsin B precursor 0.0372 0.3413 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0079 0.0464 0.1321
Plasmodium vivax unspecified product 0.0079 0.0464 0.2527
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0079 0.0464 0.1321
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0427 0.0413
Brugia malayi Cathepsin L-like precursor 0.0211 0.1792 0.1792
Plasmodium falciparum cysteine proteinase falcipain 3 0.0211 0.1792 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0464 0.0464
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.0464 0.2528
Entamoeba histolytica hypothetical protein 0.0079 0.0464 0.2528
Brugia malayi beta-lactamase family protein 0.0035 0.0015 0.0015
Entamoeba histolytica cysteine proteinase, putative 0.0211 0.1792 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0464 0.1321
Onchocerca volvulus 0.0211 0.1792 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0211 0.1792 0.523
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0079 0.0464 0.0464
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1026 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0427 0.0427
Brugia malayi Cathepsin L-like precursor 0.0211 0.1792 0.1792
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0211 0.1792 0.523
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1026 1 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0079 0.0464 0.0464
Brugia malayi prolyl oligopeptidase family protein 0.0141 0.1082 0.1082
Schistosoma mansoni cathepsin F (C01 family) 0.0211 0.1792 0.1792
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0211 0.1792 0.178
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0372 0.3413 0.3413
Loa Loa (eye worm) hypothetical protein 0.0141 0.1082 0.1082
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0079 0.0464 0.2527
Brugia malayi Cathepsin L-like precursor 0.0211 0.1792 0.1792
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0427 0.5
Loa Loa (eye worm) hypothetical protein 0.0211 0.1792 0.1792
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0115 0.0101
Plasmodium vivax serine-repeat antigen (SERA) 0.0079 0.0464 0.2527
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0079 0.0464 0.2527
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0079 0.0464 0.1321
Echinococcus multilocularis cathepsin L 0.0079 0.0464 0.045
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0115 0.0115
Echinococcus multilocularis cathepsin b 0.1026 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0079 0.0464 0.1321
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Schistosoma mansoni cathepsin F (C01 family) 0.0211 0.1792 0.1792
Loa Loa (eye worm) hypothetical protein 0.0035 0.0015 0.0015
Leishmania major oligopeptidase b 0.0056 0.0227 0.0626
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0115 0.0101
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0079 0.0464 0.2527
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0079 0.0464 0.1321
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1026 1 1
Schistosoma mansoni hypothetical protein 0.0164 0.1313 0.1313
Onchocerca volvulus 0.0211 0.1792 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0056 0.0227 0.0626
Brugia malayi Papain family cysteine protease containing protein 0.0079 0.0464 0.0464
Entamoeba histolytica cysteine protease, putative 0.0211 0.1792 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0079 0.0464 0.2527
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0211 0.1792 0.523
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0211 0.1792 0.523
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0079 0.0464 0.0464
Trypanosoma cruzi major cysteine proteinase, putative 0.0079 0.0464 0.045
Giardia lamblia Cathepsin B precursor 0.0372 0.3413 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0079 0.0464 0.0464
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0056 0.0227 0.0213
Brugia malayi Cathepsin L-like precursor 0.0211 0.1792 0.1792
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0079 0.0464 0.2527
Trypanosoma brucei prolyl endopeptidase 0.0141 0.1082 0.3139
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0079 0.0464 0.0464
Leishmania major cysteine peptidase A (CPA) 0.0211 0.1792 0.523
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0211 0.1792 0.178
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0156 0.0156
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0427 0.0413
Echinococcus granulosus cathepsin b 0.1026 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0115 0.0101
Echinococcus granulosus cathepsin l1 0.0211 0.1792 0.178
Onchocerca volvulus 0.0211 0.1792 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0115 0.0101
Brugia malayi beta-lactamase family protein 0.0035 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0079 0.0464 0.0464
Toxoplasma gondii prolyl endopeptidase 0.0141 0.1082 0.3139
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0079 0.0464 0.0464
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0079 0.0464 0.2527
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0015 0.0015
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0211 0.1792 0.523
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.1908 1
Leishmania major cathepsin L-like protease 0.0211 0.1792 0.523
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0056 0.0227 0.5162
Trypanosoma cruzi major cysteine proteinase, putative 0.0079 0.0464 0.045
Brugia malayi hypothetical protein 0.0035 0.0014 0.0014
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0056 0.0227 0.0626
Onchocerca volvulus Cathepsin L homolog 0.0211 0.1792 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0079 0.0464 0.0464
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0211 0.1792 0.178
Trypanosoma cruzi cysteine proteinase, putative 0.0079 0.0464 0.045
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0079 0.0464 0.0273
Plasmodium falciparum serine repeat antigen 2 0.0079 0.0464 0.0273
Brugia malayi fibroinase precursor 0.0079 0.0464 0.0464
Plasmodium vivax unspecified product 0.0079 0.0464 0.2527
Loa Loa (eye worm) hypothetical protein 0.0035 0.0015 0.0015
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0372 0.3413 0.3403
Plasmodium falciparum serine repeat antigen 9 0.0079 0.0464 0.0273
Echinococcus granulosus cathepsin L cysteine proteinase 0.0211 0.1792 0.178
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0079 0.0464 0.0273
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0056 0.0227 0.0213
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Schistosoma mansoni cathepsin F (C01 family) 0.0211 0.1792 0.1792
Toxoplasma gondii cathepsin CPC1 0.0079 0.0464 0.1321
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0427 0.2317
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.0464 0.2528
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0211 0.1792 0.523
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0211 0.1792 0.523
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0115 0.0115
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0079 0.0464 0.0464
Giardia lamblia Cathepsin B precursor 0.0372 0.3413 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0141 0.1082 0.1082
Onchocerca volvulus 0.0079 0.0464 0.2527
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Entamoeba histolytica cysteine proteinase 2 0.0079 0.0464 0.2528
Leishmania major cathepsin L-like protease 0.0211 0.1792 0.523
Loa Loa (eye worm) hypothetical protein 0.0079 0.0464 0.0464
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0372 0.3413 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0164 0.3615
Leishmania major cathepsin L-like protease 0.0211 0.1792 0.523
Trypanosoma brucei cysteine peptidase C (CPC) 0.0372 0.3413 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0427 1
Toxoplasma gondii cathepsin CPC2 0.0079 0.0464 0.1321
Brugia malayi Cathepsin L-like precursor 0.0211 0.1792 0.1792
Brugia malayi Cathepsin L-like precursor 0.0211 0.1792 0.1792
Onchocerca volvulus Cathepsin L homolog 0.0211 0.1792 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.1947 0.1947
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1026 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0164 0.0786
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1026 1 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0079 0.0464 0.2528
Echinococcus multilocularis geminin 0.0164 0.1313 0.1301
Trypanosoma cruzi oligopeptidase b 0.0056 0.0227 0.0213
Loa Loa (eye worm) hypothetical protein 0.0211 0.1792 0.1792
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0164 0.0149
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.0464 0.1321
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0211 0.1792 0.523
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.0464 0.1321
Plasmodium vivax vivapain-2 0.0211 0.1792 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.0464 0.1321
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0211 0.1792 0.523
Onchocerca volvulus Cathepsin F homolog 0.0211 0.1792 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0079 0.0464 0.0464
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0115 0.0115
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0056 0.0227 0.1123
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.0464 0.1321
Schistosoma mansoni cathepsin C 0.0079 0.0464 0.0464
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.0464 0.1321
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0079 0.0464 0.1321
Leishmania major cathepsin L-like protease 0.0211 0.1792 0.523
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.0464 0.2528
Brugia malayi Probable ClpP-like protease 0.0076 0.0427 0.0427
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0211 0.1792 0.1792
Plasmodium falciparum serine repeat antigen 4 0.0079 0.0464 0.0273
Onchocerca volvulus Cathepsin L homolog 0.0079 0.0464 0.2527
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0079 0.0464 0.2527
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0079 0.0464 0.0464
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0079 0.0464 0.1321
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0156 0.0156
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.0464 0.2528
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.0464 0.1321
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0079 0.0464 0.1321
Loa Loa (eye worm) hypothetical protein 0.0211 0.1792 0.1792
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0211 0.1792 0.523
Brugia malayi Cathepsin L-like precursor 0.0211 0.1792 0.1792
Echinococcus granulosus neuropeptide receptor A26 0.0455 0.4248 0.424
Loa Loa (eye worm) hypothetical protein 0.0035 0.0015 0.0015
Echinococcus granulosus geminin 0.0164 0.1313 0.1301
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0164 0.0786
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.0464 0.1321
Loa Loa (eye worm) hypothetical protein 0.0079 0.0464 0.0464
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0079 0.0464 0.1321
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0427 0.1212
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0015 0.0015
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0372 0.3413 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0156 0.0156
Trypanosoma cruzi cysteine peptidase, putative 0.0211 0.1792 0.178
Entamoeba histolytica cysteine proteinase, putative 0.0211 0.1792 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0211 0.1792 0.523
Toxoplasma gondii preprocathepsin c precursor, putative 0.0079 0.0464 0.1321
Brugia malayi follicle stimulating hormone receptor 0.0227 0.1947 0.1947
Leishmania major cathepsin L-like protease 0.0211 0.1792 0.523
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Leishmania major cathepsin L-like protease 0.0211 0.1792 0.523
Echinococcus multilocularis neuropeptide receptor A26 0.0455 0.4248 0.424
Loa Loa (eye worm) hypothetical protein 0.0079 0.0464 0.0464
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0015 0.0015
Leishmania major cathepsin L-like protease 0.0211 0.1792 0.523
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0126 0.0933 0.4848
Trypanosoma cruzi prolyl endopeptidase 0.0141 0.1082 0.1068
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0211 0.1792 0.523
Echinococcus granulosus cathepsin L 0.0079 0.0464 0.045
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0164 0.0149
Onchocerca volvulus 0.0211 0.1792 1
Schistosoma mansoni hypothetical protein 0.0035 0.0014 0.0014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0115 0.0115
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.0464 0.1321
Loa Loa (eye worm) hypothetical protein 0.0035 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0035 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.1026 1 1
Plasmodium falciparum serine repeat antigen 5 0.0079 0.0464 0.0273
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Brugia malayi Cathepsin L-like cysteine proteinase 0.0211 0.1792 0.1792
Schistosoma mansoni cathepsin B (C01 family) 0.0079 0.0464 0.0464
Mycobacterium tuberculosis Probable peptidase 0.0056 0.0227 0.1123
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0427 0.5
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Schistosoma mansoni hypothetical protein 0.0164 0.1313 0.1313
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0211 0.1792 0.523
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0115 0.0115
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0056 0.0227 0.5162
Trypanosoma cruzi cysteine peptidase, putative 0.0211 0.1792 0.178
Toxoplasma gondii cathepsin CPL 0.0211 0.1792 0.523
Trypanosoma cruzi cruzipain precursor, putative 0.0211 0.1792 0.178
Plasmodium falciparum serine repeat antigen 6 0.0079 0.0464 0.0273
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0079 0.0464 0.2527
Echinococcus multilocularis cathepsin L 0.0079 0.0464 0.045
Trypanosoma brucei oligopeptidase b 0.0056 0.0227 0.0626
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0079 0.0464 0.0464
Entamoeba histolytica cysteine protease, putative 0.0079 0.0464 0.2528
Plasmodium falciparum serine repeat antigen 3 0.0079 0.0464 0.0273

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 50 ug ml-1 Antibacterial activity against methicillin-sensitive Staphylococcus aureus NCTC 6571 ChEMBL. 17960927
MIC (functional) > 50 ug ml-1 Antibacterial activity against Mycobacterium fortuitum NCTC 10394 ChEMBL. 17960927
MIC (functional) > 50 ug ml-1 Antifungal activity against Aspergillus niger IMI 149007 ChEMBL. 17960927
MIC (functional) = 50 ug ml-1 Antifungal activity against Candida albicans NCPF 3179 ChEMBL. 17960927
MIC (functional) > 50 ug ml-1 Antibacterial activity against Streptococcus faecalis NCTC 775 ChEMBL. 17960927
MIC (functional) = 50 ug ml-1 Antifungal activity against Candida albicans NCPF 3179 ChEMBL. 17960927

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.