Detailed information for compound 328462

Basic information

Technical information
  • TDR Targets ID: 328462
  • Name: (E,4S)-2,5-dimethyl-4-[methyl-[(2S)-2-[[(2S)- 3-methyl-2-(methylamino)-3-phenylbutanoyl]ami no]pentanoyl]amino]hex-2-enoic acid
  • MW: 459.621 | Formula: C26H41N3O4
  • H donors: 3 H acceptors: 4 LogP: 2.1 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC[C@@H](C(=O)N([C@@H](C(C)C)/C=C(/C(=O)O)\C)C)NC(=O)[C@H](C(c1ccccc1)(C)C)NC
  • InChi: 1S/C26H41N3O4/c1-9-13-20(24(31)29(8)21(17(2)3)16-18(4)25(32)33)28-23(30)22(27-7)26(5,6)19-14-11-10-12-15-19/h10-12,14-17,20-22,27H,9,13H2,1-8H3,(H,28,30)(H,32,33)/b18-16+/t20-,21+,22+/m0/s1
  • InChiKey: VRKLTEYPEREWJG-LTLWPOLISA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E,4S)-2,5-dimethyl-4-[methyl-[(2S)-2-[[(2S)-3-methyl-2-(methylamino)-3-phenyl-butanoyl]amino]pentanoyl]amino]hex-2-enoic acid
  • (E,4S)-2,5-dimethyl-4-[methyl-[(2S)-2-[[(2S)-3-methyl-2-(methylamino)-1-oxo-3-phenylbutyl]amino]-1-oxopentyl]amino]-2-hexenoic acid
  • (E,4S)-2,5-dimethyl-4-[methyl-[(2S)-2-[[(2S)-3-methyl-2-methylamino-3-phenylbutanoyl]amino]pentanoyl]amino]hex-2-enoic acid
  • (E,4S)-2,5-dimethyl-4-[methyl-[(2S)-2-[[(2S)-3-methyl-2-methylamino-3-phenyl-butanoyl]amino]pentanoyl]amino]hex-2-enoic acid
  • (E,4S)-2,5-dimethyl-4-[methyl-[(2S)-2-[[(2S)-3-methyl-2-methylamino-1-oxo-3-phenylbutyl]amino]-1-oxopentyl]amino]hex-2-enoic acid

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 kinesin, putative 0.0062 0.0547 0.1312
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0098 0.0934 1
Plasmodium vivax calpain, putative 0.0088 0.0836 1
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0405 0.4332
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0088 0.0836 0.2301
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0668 0.0787
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0165 0.177
Toxoplasma gondii cathepsin B 0.0098 0.0934 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0668 0.0787
Trypanosoma brucei cysteine peptidase C (CPC) 0.0098 0.0934 1
Schistosoma mansoni calpain-2 (C02 family) 0.0027 0.0165 0.0195
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0003 0.0004
Entamoeba histolytica calpain large subunit domain III containing protein 0.0062 0.0547 0.495
Loa Loa (eye worm) hypothetical protein 0.0057 0.0499 0.1613
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0173 1
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0165 0.177
Echinococcus multilocularis calpain 0.0088 0.0836 0.0836
Schistosoma mansoni hypothetical protein 0.0047 0.0386 0.0454
Loa Loa (eye worm) hypothetical protein 0.0027 0.0173 0.0552
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0003 0.0004
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0296 0.3079 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0003 0.0004
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0173 0.0101
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0003 0.0003
Brugia malayi hypothetical protein 0.0273 0.2829 0.9188
Echinococcus multilocularis tar DNA binding protein 0.0073 0.0668 0.0668
Echinococcus granulosus survival motor neuron protein 1 0.0273 0.2829 0.3332
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0088 0.0836 0.2301
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0113 0.1106 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0115 0.1125 0.1325
Brugia malayi calpain 5 0.0062 0.0547 0.1769
Echinococcus multilocularis hypothetical protein 0.0088 0.0836 0.0836
Echinococcus multilocularis calpain 5 0.0088 0.0836 0.0836
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0165 0.177
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0296 0.3079 0.3626
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0173 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0003 0.0004
Echinococcus multilocularis calpain 7 (C02 family) 0.0088 0.0836 0.0836
Loa Loa (eye worm) hypothetical protein 0.0018 0.0074 0.023
Loa Loa (eye worm) hypothetical protein 0.0027 0.0165 0.0527
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0448 0.1446
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0448 0.1446
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0088 0.0836 0.2301
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0074 0.0087
Schistosoma mansoni calpain-7 (C02 family) 0.0088 0.0836 0.0984
Loa Loa (eye worm) hypothetical protein 0.0049 0.0405 0.1305
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0003 0.0003
Loa Loa (eye worm) calpain D 0.0027 0.0165 0.0527
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0074 0.023
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0245 0.2533 0.2983
Echinococcus granulosus cathepsin b 0.0296 0.3079 0.3626
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0499 0.1613
Loa Loa (eye worm) hypothetical protein 0.0296 0.3079 1
Plasmodium falciparum calpain 0.0027 0.0165 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0173 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0049 0.0405 0.0405
Echinococcus granulosus microtubule associated protein 2 0.0795 0.8492 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0003 0.0004
Entamoeba histolytica calpain family cysteine protease, putative 0.0027 0.0165 0.1494
Loa Loa (eye worm) calpain family protein 1 0.0235 0.2418 0.7852
Onchocerca volvulus 0.0056 0.0479 0.3268
Toxoplasma gondii hypothetical protein 0.0027 0.0165 0.177
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0479 0.1547
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0173 0.0101
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0003 0.0004
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0668 0.0787
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0098 0.0934 0.11
Echinococcus granulosus cathepsin b 0.0296 0.3079 0.3626
Echinococcus multilocularis cathepsin b 0.0296 0.3079 0.3079
Loa Loa (eye worm) hypothetical protein 0.0146 0.146 0.4735
Echinococcus granulosus Niemann Pick C1 protein 0.0113 0.1106 0.1303
Loa Loa (eye worm) hypothetical protein 0.0273 0.2829 0.9188
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0173 0.0552
Schistosoma mansoni hypothetical protein 0.0018 0.0074 0.0087
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0074 0.023
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0088 0.0836 0.2301
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0003 0.0004
Trypanosoma brucei calpain-like protein, putative 0.0088 0.0836 0.8724
Loa Loa (eye worm) hypothetical protein 0.0235 0.2418 0.7852
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.002 0.0098 0.0309
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0448 0.0448
Loa Loa (eye worm) TAR-binding protein 0.0073 0.0668 0.2161
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0003 0.0003
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0003 0.0004
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0173 0.1565
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0088 0.0836 0.2301
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0245 0.2533 0.2533
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0499 0.1613
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0173 1
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0003 0.0003
Schistosoma mansoni calpain (C02 family) 0.0088 0.0836 0.0984
Echinococcus granulosus Niemann Pick C1 protein 0.0162 0.1634 0.1924
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0003 0.0003
Trichomonas vaginalis hypothetical protein 0.0027 0.0165 0.177
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0074 0.023
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0245 0.2533 0.2983
Schistosoma mansoni hypothetical protein 0.0047 0.0386 0.0454
Echinococcus granulosus calpain A 0.0088 0.0836 0.0984
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0173 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0173 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0088 0.0836 0.2301
Brugia malayi calpain D 0.0027 0.0165 0.0527
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0003 0.0003
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0098 0.1176
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0074 0.0074
Mycobacterium ulcerans hypothetical protein 0.0027 0.0173 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0098 0.0309
Schistosoma mansoni hypothetical protein 0.0027 0.0165 0.0195
Loa Loa (eye worm) hypothetical protein 0.0113 0.1106 0.3586
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0003 0.0004
Trichomonas vaginalis calpain, putative 0.0027 0.0165 0.177
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0165 0.177
Echinococcus granulosus tar DNA binding protein 0.0073 0.0668 0.0787
Loa Loa (eye worm) hypothetical protein 0.0027 0.0173 0.0552
Toxoplasma gondii calpain family cysteine protease domain-containing protein 0.0027 0.0165 0.177
Giardia lamblia Cathepsin B precursor 0.0098 0.0934 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0088 0.0836 0.8724
Giardia lamblia Cathepsin B precursor 0.0098 0.0934 1
Echinococcus granulosus sterol regulatory element binding protein 0.0049 0.0405 0.0476
Schistosoma mansoni Mername-AA248 (C02 family) 0.0088 0.0836 0.0984
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0027 0.0173 0.0552
Trichomonas vaginalis calpain, putative 0.0027 0.0165 0.177
Echinococcus granulosus Protein patched homolog 1 0.0049 0.0405 0.0476
Echinococcus multilocularis cathepsin b 0.0296 0.3079 0.3079
Echinococcus multilocularis calpain family protein 1, d 0.0173 0.1748 0.1748
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0074 0.0074
Brugia malayi TAR-binding protein 0.0073 0.0668 0.2161
Echinococcus granulosus calpain A 0.0245 0.2533 0.2983
Loa Loa (eye worm) hypothetical protein 0.002 0.0098 0.0309
Trichomonas vaginalis calpain, putative 0.0027 0.0165 0.177
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0173 0.1565
Brugia malayi cathepsin B-like cysteine proteinase 0.0296 0.3079 1
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0098 0.5945
Loa Loa (eye worm) cathepsin B 0.0098 0.0934 0.3025
Schistosoma mansoni hypothetical protein 0.0047 0.0386 0.0454
Echinococcus multilocularis survival motor neuron protein 1 0.0273 0.2829 0.2829
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0448 0.0528
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0074 0.0087
Schistosoma mansoni hypothetical protein 0.0018 0.0074 0.0087
Brugia malayi Niemann-Pick C1 protein precursor 0.0113 0.1106 0.3586
Echinococcus granulosus calpain 0.0088 0.0836 0.0984
Echinococcus multilocularis calpain A 0.0245 0.2533 0.2533
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0165 0.177
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0448 0.0528
Trypanosoma brucei kinesin, putative 0.0062 0.0547 0.4974
Loa Loa (eye worm) calpain 5 0.0062 0.0547 0.1769
Loa Loa (eye worm) calpain 0.0088 0.0836 0.2706
Schistosoma mansoni calpain-7 (C02 family) 0.0088 0.0836 0.0984
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0296 0.3079 0.3626
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0003 0.0003
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0208 0.213 0.6915
Echinococcus granulosus GPCR family 2 0.0018 0.0074 0.0087
Trypanosoma brucei antigen, putative 0.0088 0.0836 0.8724
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0003 0.0004
Brugia malayi calpain family protein 1 0.0235 0.2418 0.7852
Schistosoma mansoni hypothetical protein 0.0195 0.1992 0.2346
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0039 0.0303 0.0356
Echinococcus multilocularis microtubule associated protein 2 0.0795 0.8492 0.8492
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0235 0.2418 0.2848
Echinococcus multilocularis GPCR, family 2 0.0018 0.0074 0.0074
Schistosoma mansoni hypothetical protein 0.0047 0.0386 0.0454
Loa Loa (eye worm) RNA binding protein 0.0073 0.0668 0.2161
Brugia malayi calpain 5 0.0027 0.0165 0.0527
Schistosoma mansoni hypothetical protein 0.0195 0.1992 0.2346
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0245 0.2533 0.2983
Schistosoma mansoni hypothetical protein 0.0018 0.0074 0.0087
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0088 0.0836 0.8724
Schistosoma mansoni patched 1 0.0049 0.0405 0.0476
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0098 0.0934 0.2637
Trypanosoma cruzi kinesin, putative 0.0062 0.0547 0.1312
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0173 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0003 0.0004
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0173 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0003 0.0004
Onchocerca volvulus 0.0027 0.0173 0.1166
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0499 0.1613
Leishmania major kinesin, putative 0.0062 0.0547 0.4974
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0173 0.0552
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0088 0.0836 0.2301
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0088 0.0836 0.8724
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0088 0.0836 0.8724
Echinococcus multilocularis Niemann Pick C1 protein 0.0162 0.1634 0.1634
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.006 0.0523 0.169
Giardia lamblia Cathepsin B precursor 0.0098 0.0934 1
Schistosoma mansoni hypothetical protein 0.0018 0.0074 0.0087
Echinococcus granulosus calpain 5 0.0088 0.0836 0.0984
Echinococcus multilocularis Niemann Pick C1 protein 0.0113 0.1106 0.1106
Schistosoma mansoni survival motor neuron protein 0.0056 0.0479 0.0564
Loa Loa (eye worm) hypothetical protein 0.002 0.0098 0.0309
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0003 0.0004
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0173 0.5
Schistosoma mansoni calpain C (C02 family) 0.0088 0.0836 0.0984
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0173 0.0101
Loa Loa (eye worm) hypothetical protein 0.002 0.0098 0.0309
Loa Loa (eye worm) hypothetical protein 0.0173 0.1748 0.5672
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0303 0.0973
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0668 0.0787
Echinococcus multilocularis protein patched 0.0049 0.0405 0.0405
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0003 0.0004
Brugia malayi calpain family protein 1 0.0235 0.2418 0.7852
Echinococcus multilocularis expressed conserved protein 0.0107 0.1032 0.1032
Brugia malayi calpain 7 0.0088 0.0836 0.2706
Brugia malayi RNA binding protein 0.0073 0.0668 0.2161
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0173 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0098 0.139
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0003 0.0004
Trypanosoma brucei calpain-like protein, putative 0.0088 0.0836 0.8724
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0165 0.177
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0049 0.0405 0.1305
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0098 0.0934 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0303 0.0973
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0173 1
Loa Loa (eye worm) calpain family protein 1 0.0173 0.1748 0.5672
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0448 0.0528
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0448 0.0448
Echinococcus granulosus geminin 0.0195 0.1992 0.2346
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0173 0.1565
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0098 0.5
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0165 0.177
Echinococcus multilocularis geminin 0.0195 0.1992 0.1992
Schistosoma mansoni microtubule-associated protein tau 0.0795 0.8492 1
Onchocerca volvulus 0.0146 0.146 1
Entamoeba histolytica protein kinase, putative 0.0062 0.0547 0.495
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0296 0.3079 0.3626
Trypanosoma brucei calpain-like protein, putative 0.0088 0.0836 0.8724
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0173 0.0552
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0448 0.0528
Echinococcus granulosus expressed conserved protein 0.0107 0.1032 0.1215
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0088 0.0836 0.2301
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0088 0.0836 0.2301
Schistosoma mansoni coup transcription factor 0.0012 0.0003 0.0004
Echinococcus multilocularis protein dispatched 1 0.0056 0.0479 0.0479
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0003 0.0003
Echinococcus granulosus calpain 7 C02 family 0.0088 0.0836 0.0984
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0003 0.0004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0448 0.0528
Schistosoma mansoni hypothetical protein 0.0056 0.0479 0.0564
Trypanosoma brucei calpain-like protein, putative 0.0088 0.0836 0.8724
Brugia malayi CHE-14 protein 0.0049 0.0405 0.1305
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0088 0.0836 0.8724
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0003 0.0004
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0296 0.3079 0.3626
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.0668 0.2161
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0088 0.0836 0.2301
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.0668 0.2161
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0668 0.0787

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 15 nM Concentration required to inhibit tumor cell growth in KB-3-1 cells ChEMBL. 15341492
IC50 (functional) = 19 nM Concentration required to inhibit tumor cell growth in KB-8-5 cells ChEMBL. 15341492
IC50 (functional) = 19 nM Concentration required to inhibit tumor cell growth in KB-8-5 cells ChEMBL. 15341492
IC50 (functional) = 575 nM Concentration required to inhibit tumor cell growth in KB-V1 cells ChEMBL. 15341492
IC50 (functional) = 575 nM Concentration required to inhibit tumor cell growth in KB-V1 cells ChEMBL. 15341492
Inhibition (functional) = 51 % Percent inhibition of tubulin polymerization at 0.3 uM concentration ChEMBL. 15341492
Inhibition (functional) = 51 % Percent inhibition of tubulin polymerization at 0.3 uM concentration ChEMBL. 15341492

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15341492

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.

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