Detailed information for compound 442420

Basic information

Technical information
  • TDR Targets ID: 442420
  • Name: 1-(3-amino-3-oxopropyl)-2-[(4-bromobenzoyl)am ino]-N-cyclohexyl-N-methylbenzimidazole-5-car boxamide
  • MW: 526.426 | Formula: C25H28BrN5O3
  • H donors: 2 H acceptors: 4 LogP: 3.35 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: NC(=O)CCn1c(NC(=O)c2ccc(cc2)Br)nc2c1ccc(c2)C(=O)N(C1CCCCC1)C
  • InChi: 1S/C25H28BrN5O3/c1-30(19-5-3-2-4-6-19)24(34)17-9-12-21-20(15-17)28-25(31(21)14-13-22(27)32)29-23(33)16-7-10-18(26)11-8-16/h7-12,15,19H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33)
  • InChiKey: NPPZPEXJTKIXER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(3-amino-3-oxo-propyl)-2-[(4-bromobenzoyl)amino]-N-cyclohexyl-N-methyl-benzimidazole-5-carboxamide
  • 1-(3-amino-3-oxopropyl)-2-[[(4-bromophenyl)-oxomethyl]amino]-N-cyclohexyl-N-methyl-5-benzimidazolecarboxamide
  • 1-(3-azanyl-3-oxo-propyl)-2-[(4-bromophenyl)carbonylamino]-N-cyclohexyl-N-methyl-benzimidazole-5-carboxamide
  • 1-(3-amino-3-keto-propyl)-2-[(4-bromobenzoyl)amino]-N-cyclohexyl-N-methyl-benzimidazole-5-carboxamide
  • 1-(3-amino-3-oxo-propyl)-2-[(4-bromophenyl)carbonylamino]-N-cyclohexyl-N-methyl-benzimidazole-5-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens IL2-inducible T-cell kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K07370 Bruton agammaglobulinemia tyrosine kinase, putative Get druggable targets OG5_129320 All targets in OG5_129320
Schistosoma japonicum Tyrosine-protein kinase BTK, putative Get druggable targets OG5_129320 All targets in OG5_129320
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_129320 All targets in OG5_129320
Echinococcus multilocularis tyrosine protein kinase Btk29A Get druggable targets OG5_129320 All targets in OG5_129320
Echinococcus granulosus tyrosine protein kinase Btk29A Get druggable targets OG5_129320 All targets in OG5_129320
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
Brugia malayi nuclear hormone receptor 0.0009 0.0069 0.0216
Loa Loa (eye worm) hypothetical protein 0.002 0.0283 0.1057
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.001 0.0092 0.0092
Trichomonas vaginalis D-aminoacylase, putative 0.0026 0.0406 0.248
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.001 0.0092 0.0092
Onchocerca volvulus 0.002 0.0283 0.1004
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0038 0.065 0.2432
Schistosoma mansoni dihydroorotate dehydrogenase 0.0163 0.3199 0.3199
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0009 0.0069 0.0258
Echinococcus multilocularis beta LACTamase domain containing family member 0.0026 0.0406 0.0406
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0026 0.0406 0.0898
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0283 0.1057
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0009 0.0069 0.0216
Brugia malayi SRC-1 0.0007 0.0017 0.0054
Treponema pallidum NADH oxidase 0.0012 0.0131 0.5
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0012 0.0131 0.5
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0163 0.3199 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0067 0.1242 1
Loa Loa (eye worm) glutathione reductase 0.0036 0.0607 0.2268
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0283 0.0884
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0067 0.1242 0.1242
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Echinococcus granulosus tyrosine protein kinase Fyn 0.0007 0.0017 0.0017
Echinococcus granulosus segment polarity protein dishevelled 0.0007 0.0016 0.0016
Plasmodium falciparum ataxin-2 like protein, putative 0.0017 0.0217 0.0281
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0283 0.0283
Schistosoma mansoni tyrosine kinase 0.0007 0.0017 0.0017
Echinococcus multilocularis peroxidasin 0.004 0.0692 0.0692
Brugia malayi Blistered cuticle protein 3 0.004 0.0692 0.2163
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0283 0.0283
Brugia malayi latrophilin 2 splice variant baaae 0.0026 0.0406 0.1269
Onchocerca volvulus 0.004 0.0692 0.2543
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0343
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.003 0.0493 0.0493
Plasmodium vivax ataxin-2 like protein, putative 0.0017 0.0217 0.0281
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0343
Schistosoma mansoni peroxidasin 0.004 0.0692 0.0692
Echinococcus granulosus tyrosine protein kinase Fyn 0.0007 0.0017 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0406 0.0898
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0283 0.0283
Plasmodium falciparum glutathione reductase 0.0036 0.0607 0.1552
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0007 0.0016 0.0016
Trichomonas vaginalis penicillin-binding protein, putative 0.0026 0.0406 0.248
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Brugia malayi steroid hormone receptor 0.002 0.0283 0.0884
Plasmodium vivax glutathione reductase, putative 0.0036 0.0607 0.1552
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0283 0.0884
Echinococcus granulosus tyrosine protein kinase Fyn 0.0007 0.0017 0.0017
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0163 0.3199 1
Brugia malayi nuclear receptor NHR-88 0.0009 0.0069 0.0216
Schistosoma mansoni regulator of G protein signaling 0.0007 0.0016 0.0016
Loa Loa (eye worm) animal heme peroxidase 0.004 0.0692 0.2587
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0007 0.0017 0.0017
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.1175 0.9397
Brugia malayi Animal haem peroxidase family protein 0.004 0.0692 0.2163
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0007 0.003 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0283 0.1057
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0283 0.0884
Trichomonas vaginalis penicillin-binding protein, putative 0.0026 0.0406 0.248
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0283 0.0884
Brugia malayi Animal haem peroxidase family protein 0.004 0.0692 0.2163
Echinococcus multilocularis microtubule associated protein 2 0.0497 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0283 0.0884
Onchocerca volvulus 0.004 0.0692 0.2543
Echinococcus granulosus tyrosine protein kinase Src42A 0.0007 0.0017 0.0017
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0007 0.0017 0.0017
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0007 0.0016 0.0059
Loa Loa (eye worm) transcription factor SMAD2 0.0079 0.1483 0.5542
Onchocerca volvulus Chorion peroxidase homolog 0.004 0.0692 0.2543
Schistosoma mansoni nuclear receptor nhr-48 0.0009 0.0069 0.0069
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0009 0.0069 0.0069
Brugia malayi conserved hypotetical protein 0.0009 0.0069 0.0216
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0163 0.3199 0.9829
Brugia malayi orphan nuclear receptor NR2E1 0.0009 0.0069 0.0216
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.003 0.0493 0.0493
Echinococcus multilocularis thioredoxin glutathione reductase 0.0036 0.0607 0.0607
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0163 0.3199 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0283 0.1057
Loa Loa (eye worm) hypothetical protein 0.0026 0.0406 0.1518
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0007 0.0017 0.0017
Toxoplasma gondii ABC1 family protein 0.0026 0.0406 0.1227
Giardia lamblia NADH oxidase lateral transfer candidate 0.0012 0.0131 0.5
Schistosoma mansoni hypothetical protein 0.0012 0.0122 0.0122
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0283 0.0283
Schistosoma mansoni zinc finger protein 0.0009 0.0069 0.0069
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0007 0.0016 0.0016
Schistosoma mansoni thyroid hormone receptor 0.002 0.0283 0.0283
Brugia malayi nuclear receptor NHR-67 0.0009 0.0069 0.0216
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Echinococcus multilocularis c src tyrosine kinase 0.0007 0.0017 0.0017
Schistosoma mansoni z-protein (S1r protein) 0.0007 0.0016 0.0016
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0283 0.0283
Brugia malayi N-terminal motif family protein 0.0137 0.2675 0.8363
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0007 0.0017 0.0017
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0026 0.0406 0.0883
Trypanosoma cruzi PAB1-binding protein , putative 0.0017 0.0217 0.0281
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0007 0.0017 0.0017
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0026 0.0406 0.0883
Brugia malayi nuclear hormone receptor 0.002 0.0283 0.0884
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Brugia malayi nuclear hormone receptor family member odr-7 0.0009 0.0069 0.0216
Echinococcus granulosus regulator of G protein signaling 7 0.0007 0.0016 0.0016
Schistosoma mansoni thyroid hormone receptor 0.002 0.0283 0.0283
Loa Loa (eye worm) DIX domain-containing protein 0.0007 0.0016 0.0059
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0283 0.0283
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.003 0.0493 0.0493
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0406 0.0898
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Loa Loa (eye worm) nuclear receptor NHR-67 0.0009 0.0069 0.0258
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0007 0.0017 0.0017
Echinococcus granulosus nuclear receptor nhr 48 0.0009 0.0069 0.0069
Loa Loa (eye worm) blistered cuticle protein 3 0.004 0.0692 0.2587
Brugia malayi ecdysone receptor 0.0009 0.0069 0.0216
Brugia malayi hypothetical protein 0.004 0.0692 0.2163
Toxoplasma gondii thioredoxin reductase 0.0036 0.0607 0.1857
Echinococcus granulosus FTZ F1 alpha 0.002 0.0283 0.0283
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0092 0.0092
Loa Loa (eye worm) hypothetical protein 0.0026 0.0406 0.1518
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0069 0.0069
Brugia malayi nuclear receptor NHR-88 0.002 0.0283 0.0884
Echinococcus granulosus tyrosine protein kinase Src64B 0.0007 0.0017 0.0017
Echinococcus granulosus Nuclear hormone receptor HR96 0.0009 0.0069 0.0069
Loa Loa (eye worm) MH2 domain-containing protein 0.0079 0.1483 0.5542
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.1175 0.9397
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0283 0.0884
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.003 0.0493 0.1842
Schistosoma mansoni nuclear receptor 0.0009 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0007 0.0016 0.0059
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.003 0.0493 0.0493
Brugia malayi Latrophilin receptor protein 2 0.0012 0.0122 0.0383
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0283 0.0283
Brugia malayi nuclear hormone receptor family member nhr-6 0.0009 0.0069 0.0216
Mycobacterium ulcerans esterase/lipase LipP 0.0026 0.0406 0.0898
Loa Loa (eye worm) hypothetical protein 0.002 0.0283 0.1057
Brugia malayi MH2 domain containing protein 0.0079 0.1483 0.4635
Echinococcus multilocularis tyrosine protein kinase Abl 0.0007 0.0017 0.0017
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0283 0.0283
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0283 0.1057
Mycobacterium tuberculosis Probable dehydrogenase 0.0082 0.154 0.4516
Toxoplasma gondii NADPH-glutathione reductase 0.0012 0.0131 0.0361
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0026 0.0406 0.1518
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0012 0.0131 0.0131
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0012 0.0122 0.0383
Brugia malayi hypothetical protein 0.0009 0.0069 0.0216
Mycobacterium ulcerans lipase LipD 0.0026 0.0406 0.0898
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0009 0.0069 0.0069
Onchocerca volvulus Peroxidase homolog 0.004 0.0692 0.2543
Plasmodium falciparum ataxin-2 like protein, putative 0.0017 0.0217 0.0281
Echinococcus multilocularis segment polarity protein dishevelled 0.0007 0.0016 0.0016
Echinococcus multilocularis regulator of G protein signaling 7 0.0007 0.0016 0.0016
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0283 0.1057
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0137 0.2675 1
Leishmania major trypanothione reductase 0.0036 0.0607 0.1552
Brugia malayi ecdysteroid receptor 0.002 0.0283 0.0884
Loa Loa (eye worm) nuclear hormone receptor 0.0009 0.0069 0.0258
Schistosoma mansoni dep domain containing protein 0.0007 0.0016 0.0016
Plasmodium falciparum thioredoxin reductase 0.0036 0.0607 0.1552
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Echinococcus granulosus tyrosine protein kinase Lyn 0.0007 0.0017 0.0017
Mycobacterium ulcerans beta-lactamase 0.0026 0.0406 0.0898
Brugia malayi Nuclear hormone receptor E75 0.0009 0.0069 0.0216
Brugia malayi hypothetical protein 0.0017 0.0217 0.0678
Loa Loa (eye worm) animal heme peroxidase 0.004 0.0692 0.2587
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0017 0.0017
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0067 0.1242 0.1242
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0343
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0163 0.3199 1
Mycobacterium tuberculosis Probable lipase LipD 0.0026 0.0406 0.0883
Brugia malayi hypothetical protein 0.001 0.0092 0.0287
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0012 0.0122 0.0122
Onchocerca volvulus Peroxidasin homolog 0.004 0.0692 0.2543
Onchocerca volvulus 0.0026 0.0406 0.1468
Trichomonas vaginalis esterase, putative 0.0026 0.0406 0.248
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0163 0.3199 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0167 0.328 0.328
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0067 0.1242 0.1242
Loa Loa (eye worm) hypothetical protein 0.002 0.0283 0.1057
Mycobacterium ulcerans hypothetical protein 0.0026 0.0406 0.0898
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0163 0.3199 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0283 0.0283
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0009 0.0064 0.0199
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0007 0.0016 0.0059
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0283 0.0283
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0012 0.0122 0.0122
Echinococcus granulosus c src tyrosine kinase 0.0007 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Echinococcus multilocularis segment polarity protein dishevelled 0.0007 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0026 0.0406 0.1518
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0082 0.154 0.4516
Schistosoma mansoni tyrosine kinase 0.0007 0.0017 0.0017
Brugia malayi hypothetical protein 0.001 0.0092 0.0287
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0064 0.1175 0.9397
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0283 0.0283
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0167 0.328 0.328
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Schistosoma mansoni dishevelled 0.0007 0.0016 0.0016
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0009 0.0069 0.02
Schistosoma mansoni hypothetical protein 0.0012 0.0122 0.0122
Brugia malayi Animal haem peroxidase family protein 0.004 0.0692 0.2163
Brugia malayi Calcitonin receptor-like protein seb-1 0.0038 0.065 0.2033
Loa Loa (eye worm) latrophilin receptor protein 2 0.0012 0.0122 0.0458
Schistosoma mansoni hypothetical protein 0.0007 0.003 0.003
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0067 0.1242 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0026 0.0406 0.0406
Schistosoma mansoni nuclear receptor 0.0009 0.0069 0.0069
Plasmodium vivax thioredoxin reductase, putative 0.0036 0.0607 0.1552
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0283 0.0283
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0012 0.0131 0.0131
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0067 0.1242 0.1242
Mycobacterium tuberculosis Conserved protein 0.0026 0.0406 0.0883
Toxoplasma gondii LsmAD domain-containing protein 0.0017 0.0217 0.0632
Echinococcus granulosus segment polarity protein dishevelled 0.0007 0.0016 0.0016
Onchocerca volvulus 0.0009 0.0069 0.02
Loa Loa (eye worm) hypothetical protein 0.0038 0.065 0.2432
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0082 0.154 0.4516
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0283 0.0884
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0007 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0343
Loa Loa (eye worm) hypothetical protein 0.0026 0.0406 0.1518
Loa Loa (eye worm) hypothetical protein 0.0012 0.0122 0.0458
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Brugia malayi Animal haem peroxidase family protein 0.004 0.0692 0.2163
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0283 0.0283
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0283 0.0884
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0017 0.0017
Echinococcus granulosus beta LACTamase domain containing family member 0.0026 0.0406 0.0406
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Loa Loa (eye worm) hypothetical protein 0.0007 0.0016 0.0059
Loa Loa (eye worm) hypothetical protein 0.0026 0.0406 0.1518
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0283 0.0283
Onchocerca volvulus Dual oxidase homolog 0.004 0.0692 0.2543
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0012 0.0122 0.0122
Leishmania major hypothetical protein, conserved 0.0026 0.0406 0.0898
Brugia malayi Tyrosine-protein kinase abl-1 0.0007 0.0017 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0283 0.0884
Brugia malayi DIX domain containing protein 0.0007 0.0016 0.0049
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0283 0.1004
Loa Loa (eye worm) thioredoxin reductase 0.0036 0.0607 0.2268
Leishmania major dihydroorotate dehydrogenase 0.0163 0.3199 1
Mycobacterium tuberculosis Conserved protein 0.0026 0.0406 0.0883
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0283 0.0283
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.1175 0.9397
Mycobacterium tuberculosis Probable lipase LipE 0.0026 0.0406 0.0883
Mycobacterium tuberculosis Probable esterase LipL 0.0026 0.0406 0.0883
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0343
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0012 0.0131 0.0361
Loa Loa (eye worm) animal heme peroxidase 0.004 0.0692 0.2587
Plasmodium falciparum dihydroorotate dehydrogenase 0.0163 0.3199 1
Schistosoma mansoni tyrosine kinase 0.0164 0.322 0.322
Loa Loa (eye worm) SRC-1 0.0007 0.0017 0.0065
Brugia malayi regulator of G-protein signaling egl-10 0.0007 0.0016 0.0049
Echinococcus granulosus peroxidasin 0.004 0.0692 0.0692
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0283 0.0884
Loa Loa (eye worm) hypothetical protein 0.002 0.0283 0.1057
Onchocerca volvulus Peroxidasin homolog 0.004 0.0692 0.2543
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0163 0.3199 1
Brugia malayi Animal haem peroxidase family protein 0.004 0.0692 0.2163
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0069 0.0069
Trypanosoma cruzi PAB1-binding protein , putative 0.0017 0.0217 0.0281
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0017 0.0017
Brugia malayi beta-lactamase family protein 0.0026 0.0406 0.127
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0283 0.0884
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0064 0.1175 0.3403
Brugia malayi hypothetical protein 0.0007 0.0016 0.0049
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0012 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.003 0.0493 0.0493
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0067 0.1242 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0283 0.0884
Echinococcus granulosus thyroid hormone receptor alpha 0.0009 0.0069 0.0069
Mycobacterium tuberculosis Probable hydrolase 0.0026 0.0406 0.0883
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0012 0.0131 0.0131
Mycobacterium tuberculosis Probable oxidoreductase 0.0091 0.1726 0.511
Brugia malayi hypothetical protein 0.0007 0.0016 0.0049
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0406 0.0898
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0009 0.0069 0.02
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Echinococcus granulosus Pleckstrin G protein interacting region 0.0007 0.0016 0.0016
Echinococcus multilocularis regulator of G protein signaling 7 0.0007 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Brugia malayi Thioredoxin reductase 0.0036 0.0607 0.1897
Echinococcus multilocularis GPCR, family 2 0.0012 0.0122 0.0122
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0283 0.0283
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0009 0.0064 0.0199
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.003 0.0493 0.0493
Mycobacterium tuberculosis Probable reductase 0.0082 0.154 0.4516
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0283 0.0283
Brugia malayi Nuclear hormone receptor E75 0.0009 0.0069 0.0216
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0283 0.0884
Schistosoma mansoni hypothetical protein 0.0012 0.0122 0.0122
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0283 0.0283
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0007 0.0016 0.0049
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0091 0.1726 0.511
Loa Loa (eye worm) hypothetical protein 0.002 0.0283 0.1057
Echinococcus granulosus GPCR family 2 0.0012 0.0122 0.0122
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0283 0.0283
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0017 0.0217 0.0811
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0283 0.0283
Schistosoma mansoni microtubule-associated protein tau 0.0497 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.003 0.0493 0.0493
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0007 0.003 0.003
Schistosoma mansoni dishevelled 0.0007 0.0016 0.0016
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0163 0.3199 1
Trypanosoma brucei PAB1-binding protein , putative 0.0017 0.0217 0.0281
Brugia malayi hypothetical protein 0.0009 0.0069 0.0216
Trypanosoma brucei trypanothione reductase 0.0036 0.0607 0.1552
Echinococcus multilocularis nuclear receptor nhr 48 0.0009 0.0069 0.0069
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0283 0.1057
Brugia malayi nuclear receptor RXR 0.001 0.0092 0.0287
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0026 0.0406 0.0406
Trichomonas vaginalis D-aminoacylase, putative 0.0026 0.0406 0.248
Brugia malayi nuclear receptor RXR 0.0009 0.0069 0.0216
Leishmania major hypothetical protein, conserved 0.0017 0.0217 0.0281
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0283 0.0283
Schistosoma mansoni coup transcription factor 0.002 0.0283 0.0283
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0092 0.0287
Brugia malayi tailless protein 0.0009 0.0069 0.0216
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.003 0.0493 0.1541
Brugia malayi glutathione reductase 0.0036 0.0607 0.1897
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0082 0.154 0.4061
Brugia malayi beta-lactamase 0.0026 0.0406 0.127
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0007 0.0017 0.0017
Loa Loa (eye worm) DR-78 0.0009 0.0069 0.0258
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0163 0.3199 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0283 0.1057
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0026 0.0406 0.127
Loa Loa (eye worm) hypothetical protein 0.0026 0.0406 0.1518
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0012 0.0131 0.0408
Echinococcus granulosus thioredoxin glutathione reductase 0.0036 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0036 0.0607 0.1525
Echinococcus granulosus Nuclear hormone receptor HR96 0.0009 0.0069 0.0069
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0092 0.0287
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0163 0.3199 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0009 0.0069 0.0069
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0283 0.1004
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0009 0.0069 0.0069
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0007 0.0017 0.0017
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0166 0.3252 1
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0283 0.0884
Onchocerca volvulus Peroxidase homolog 0.004 0.0692 0.2543
Loa Loa (eye worm) hypothetical protein 0.002 0.0283 0.1057
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0026 0.0406 0.0883
Brugia malayi Zinc finger, C2H2 type family protein 0.0064 0.1175 0.3672
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0283 0.0283
Schistosoma mansoni nuclear hormone receptor 0.002 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0137 0.2675 1
Plasmodium vivax hypothetical protein, conserved 0.0026 0.0406 0.0898
Schistosoma mansoni tyrosine kinase 0.0007 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0026 0.0406 0.1518
Schistosoma mansoni peroxidasin 0.004 0.0692 0.0692
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0283 0.0283
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0091 0.1726 0.511
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0163 0.3199 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0007 0.0016 0.0049
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0038 0.065 0.2033
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0283 0.1057
Onchocerca volvulus 0.0026 0.0406 0.1468
Echinococcus granulosus regulator of G protein signaling 7 0.0007 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Loa Loa (eye worm) hypothetical protein 0.002 0.0283 0.1057
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0324 0.6481 0.6481
Trichomonas vaginalis D-aminoacylase, putative 0.0026 0.0406 0.248
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0283 0.1004
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.001 0.0092 0.0343
Mycobacterium tuberculosis Conserved protein 0.0026 0.0406 0.0883
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0283 0.1057
Schistosoma mansoni tyrosine kinase 0.0007 0.0017 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0283 0.0283
Loa Loa (eye worm) beta-lactamase 0.0026 0.0406 0.1518
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.001 0.0092 0.0092
Brugia malayi Peroxidasin 0.004 0.0692 0.2163
Onchocerca volvulus 0.004 0.0692 0.2543
Schistosoma mansoni hypothetical protein 0.0012 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.004 0.0692 0.2587
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0258
Onchocerca volvulus 0.0009 0.0069 0.02
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0091 0.1726 0.4725
Brugia malayi beta-lactamase family protein 0.0026 0.0406 0.127
Onchocerca volvulus 0.0026 0.0406 0.1468
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0082 0.154 0.4516
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0082 0.154 0.4516
Schistosoma mansoni hypothetical protein 0.0026 0.0406 0.0406
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0283 0.0884
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0607 0.1552
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0283 0.0884
Loa Loa (eye worm) animal heme peroxidase 0.004 0.0692 0.2587
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0009 0.0069 0.0069
Brugia malayi hypothetical protein 0.0011 0.0097 0.0303
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0009 0.0069 0.0069

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.26 uM Inhibition of human ITK by DELFIA assay ChEMBL. 17499505
IC50 (binding) = 0.26 uM Inhibition of human ITK by DELFIA assay ChEMBL. 17499505
IC50 (binding) = 1.2 uM Effect on human ITK in DT40 cells assessed as induction of calcium influx by FLIPR assay ChEMBL. 17499505
IC50 (binding) = 1.2 uM Effect on human ITK in DT40 cells assessed as induction of calcium influx by FLIPR assay ChEMBL. 17499505

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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