Detailed information for compound 1273652

Basic information

Technical information
  • TDR Targets ID: 1273652
  • Name: 3-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2, 4-triazol-3-yl]sulfanyl]propanenitrile
  • MW: 354.512 | Formula: C20H26N4S
  • H donors: 0 H acceptors: 3 LogP: 4.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCSc1nnc(n1C1CCCC1)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C20H26N4S/c1-20(2,3)16-11-9-15(10-12-16)18-22-23-19(25-14-6-13-21)24(18)17-7-4-5-8-17/h9-12,17H,4-8,14H2,1-3H3
  • InChiKey: BRJHWFYMRHVVEW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]propanenitrile
  • 3-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]propionitrile
  • ZINC03504395
  • T5829337
  • MLS000056229
  • SMR000067951

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens RecQ helicase-like Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.02 0.6864 1
Echinococcus multilocularis aldehyde reductase 0.0142 0.4751 0.4607
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.1684 0.1929
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0024 0.0445 0.0183
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.02 0.6864 0.6778
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.12 0.1176
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0445 0.0649
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0058 0.1684 0.1929
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0429
Mycobacterium ulcerans oxidoreductase 0.02 0.6864 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0012 0.0017 0.0025
Echinococcus granulosus hypothetical protein 0.02 0.6864 0.6778
Loa Loa (eye worm) hypothetical protein 0.0019 0.0267 0.0251
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0024 0.0445 0.0183
Schistosoma mansoni DNA helicase recq1 0.0024 0.0445 0.0649
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0445 0.0649
Loa Loa (eye worm) oxidoreductase 0.02 0.6864 0.6858
Onchocerca volvulus 0.02 0.6864 1
Plasmodium falciparum aldo-keto reductase, putative 0.0058 0.1684 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.02 0.6864 0.6778
Echinococcus multilocularis aldo keto reductase 0.02 0.6864 0.6778
Leishmania major aldo-keto reductase-like protein 0.02 0.6864 1
Echinococcus granulosus aldo keto reductase 0.02 0.6864 0.6778
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0058 0.1684 0.1455
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0058 0.1684 0.2453
Schistosoma mansoni inositol monophosphatase 0.0045 0.12 0.1749
Mycobacterium tuberculosis Conserved protein 0.0058 0.1684 0.1121
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1074 0.0829
Echinococcus granulosus aldo keto reductase family 1 member B4 0.02 0.6864 0.6778
Giardia lamblia Aldose reductase 0.02 0.6864 1
Toxoplasma gondii aldose reductase, putative 0.02 0.6864 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0058 0.1684 0.1455
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.02 0.6864 1
Schistosoma mansoni pol-related 0.02 0.6864 1
Trichomonas vaginalis aldo-keto reductase, putative 0.02 0.6864 1
Brugia malayi NADH-dependent xylose reductase 0.0058 0.1684 0.1455
Entamoeba histolytica aldose reductase, putative 0.02 0.6864 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 0.0445 0.0429
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.12 0.1176
Echinococcus granulosus aldo keto reductase family 1 member B4 0.02 0.6864 0.6778
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4836 0.4828
Mycobacterium ulcerans hypothetical protein 0.0058 0.1684 0.0853
Loa Loa (eye worm) hypothetical protein 0.006 0.177 0.1756
Schistosoma mansoni DNA helicase recq5 0.0024 0.0445 0.0649
Loa Loa (eye worm) oxidoreductase 0.02 0.6864 0.6858
Loa Loa (eye worm) inositol-1 0.0045 0.12 0.1185
Treponema pallidum ATP-dependent DNA helicase 0.0012 0.0017 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1589 0.2315
Loa Loa (eye worm) hypothetical protein 0.02 0.6864 0.6858
Onchocerca volvulus Huntingtin homolog 0.0148 0.4974 0.6353
Trichomonas vaginalis aldo-keto reductase, putative 0.02 0.6864 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.02 0.6864 0.6778
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.02 0.6864 0.6778
Schistosoma mansoni hypothetical protein 0.0041 0.1074 0.1565
Schistosoma mansoni aldo-keto reductase 0.02 0.6864 1
Entamoeba histolytica aldose reductase, putative 0.02 0.6864 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.02 0.6864 0.6778
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0058 0.1684 0.1929
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0445 0.0183
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.02 0.6864 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.02 0.6864 0.6778
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0058 0.1684 0.1929
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1699 0.1471
Trichomonas vaginalis aldo-keto reductase, putative 0.02 0.6864 1
Trichomonas vaginalis aldo/keto reductase, putative 0.02 0.6864 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.00000000036101
Plasmodium vivax aldehyde reductase, putative 0.0058 0.1684 1
Trypanosoma cruzi aldo-keto reductase 0.02 0.6864 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1589 0.1574
Schistosoma mansoni survival motor neuron protein 0.0058 0.1699 0.2475
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1589 0.2315
Mycobacterium leprae Possible oxidoreductase 0.0058 0.1684 0.1121
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0058 0.1684 1
Onchocerca volvulus 0.0058 0.1699 0.0029
Schistosoma mansoni hypothetical protein 0.0019 0.0267 0.0389
Trichomonas vaginalis aldo-keto reductase, putative 0.02 0.6864 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1074 0.1059
Echinococcus granulosus aldo keto reductase family 1 member B4 0.02 0.6864 0.6778
Trichomonas vaginalis aldo-keto reductase, putative 0.0058 0.1684 0.1929
Trichomonas vaginalis aldo/keto reductase, putative 0.02 0.6864 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1589 0.1358
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1589 0.1358
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1589 0.1358
Onchocerca volvulus 0.02 0.6864 1
Loa Loa (eye worm) oxidoreductase 0.02 0.6864 0.6858
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.02 0.6864 1
Plasmodium falciparum aldehyde reductase, putative 0.0058 0.1684 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.12 0.1728
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0024 0.0445 0.0183
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0058 0.1684 0.1455
Toxoplasma gondii aldo-keto reductase 0.0058 0.1684 0.2453
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0445 0.0626
Entamoeba histolytica aldose reductase, putative 0.02 0.6864 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.4974 0.4966
Loa Loa (eye worm) oxidoreductase 0.02 0.6864 0.6858
Schistosoma mansoni hypothetical protein 0.0019 0.0267 0.0389
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.177 0.1756
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0017 0.0025
Echinococcus granulosus aldo keto reductase 0.02 0.6864 0.6778
Trypanosoma brucei prostaglandin f synthase 0.02 0.6864 1
Trichomonas vaginalis aldo-keto reductase, putative 0.02 0.6864 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.02 0.6864 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0267 0.0251
Trichomonas vaginalis aldo-keto reductase, putative 0.02 0.6864 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.02 0.6864 0.6778
Trichomonas vaginalis aldo-keto reductase, putative 0.0058 0.1684 0.1929
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.02 0.6864 0.6778
Trichomonas vaginalis aldo-keto reductase, putative 0.02 0.6864 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0058 0.1684 0.2434
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1589 0.1358
Trichomonas vaginalis aldo-keto reductase, putative 0.02 0.6864 1
Brugia malayi Inositol-1 0.0045 0.12 0.0959
Trypanosoma brucei aldo-keto reductase, putative 0.02 0.6864 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.12 0.1749
Onchocerca volvulus 0.02 0.6864 1
Schistosoma mansoni hypothetical protein 0.0058 0.1699 0.2475
Echinococcus granulosus bloom syndrome protein 0.0024 0.0445 0.0183
Echinococcus granulosus aldo keto reductase family 1 member B4 0.02 0.6864 0.6778
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.02 0.6864 1
Trichomonas vaginalis aldo-keto reductase, putative 0.02 0.6864 1
Entamoeba histolytica recQ family helicase, putative 0.0024 0.0445 0.0649
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4836 0.4828
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.02 0.6864 0.6778
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.12 0.0959
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.02 0.6864 0.6778
Mycobacterium tuberculosis Probable oxidoreductase 0.02 0.6864 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.12 0.1728
Entamoeba histolytica recQ family DNA helicase 0.0012 0.0017 0.0025
Schistosoma mansoni hypothetical protein 0.0019 0.0267 0.0389
Loa Loa (eye worm) oxidoreductase 0.02 0.6864 0.6858
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.177 0.1544
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1589 0.1358
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Onchocerca volvulus 0.02 0.6864 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.12 0.5
Trypanosoma cruzi aldo/keto reductase, putative 0.02 0.6864 1
Brugia malayi hypothetical protein 0.0148 0.4974 0.4836
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0024 0.0445 0.0183
Onchocerca volvulus 0.02 0.6864 1
Trichomonas vaginalis aldo-keto reductase, putative 0.02 0.6864 1
Schistosoma mansoni aldo-keto reductase 0.02 0.6864 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.12 0.1749
Echinococcus multilocularis voltage gated potassium channel subunit 0.0058 0.1684 0.1455
Echinococcus multilocularis aldo keto reductase 0.02 0.6864 0.6778
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.02 0.6864 0.6778
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0445 0.0183
Leishmania major prostaglandin f synthase, putative 0.02 0.6864 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0058 0.1684 0.2453
Echinococcus granulosus aldo keto reductase family 1 member B4 0.02 0.6864 0.6778
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.12 0.1176
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.02 0.6864 0.6778
Mycobacterium leprae Conserved hypothetical protein 0.0142 0.4751 0.6379
Echinococcus granulosus aldo keto reductase family 1 member B4 0.02 0.6864 0.6778
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0058 0.1684 0.2453
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0445 0.0183
Onchocerca volvulus 0.02 0.6864 1
Loa Loa (eye worm) RecQ helicase 0.0024 0.0445 0.0429
Loa Loa (eye worm) hypothetical protein 0.0148 0.4974 0.4966
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0445 0.0183
Trichomonas vaginalis aldo-keto reductase, putative 0.0058 0.1684 0.1929
Schistosoma mansoni potassium channel beta 0.0058 0.1684 0.2453
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1589 0.2315
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.12 0.1176
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0058 0.1684 0.167
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.02 0.6864 0.6778
Schistosoma mansoni hypothetical protein 0.0019 0.0267 0.0389
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0012 0.0017 0.0101
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.12 0.1176
Trichomonas vaginalis aldo-keto reductase, putative 0.02 0.6864 1
Brugia malayi MH2 domain containing protein 0.0144 0.4836 0.4695
Echinococcus granulosus aldo keto reductase family 1 member B4 0.02 0.6864 0.6778
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.12 0.0959
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.12 0.1749
Entamoeba histolytica alcohol dehydrogenase, putative 0.0058 0.1684 0.2453
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.02 0.6864 0.6778
Trichomonas vaginalis aldo/keto reductase, putative 0.02 0.6864 1
Echinococcus granulosus aldo keto reductase 0.02 0.6864 0.6778
Trichomonas vaginalis aldo-keto reductase, putative 0.02 0.6864 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.4974 0.6353
Echinococcus multilocularis aldo keto reductase 0.02 0.6864 0.6778
Echinococcus multilocularis aldo keto reductase 0.02 0.6864 0.6778
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.177 0.1544
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.02 0.6864 0.6778
Giardia lamblia Aldose reductase 0.02 0.6864 1
Echinococcus granulosus aldehyde reductase 0.0142 0.4751 0.4607
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.02 0.6864 0.6778
Echinococcus granulosus aldo keto reductase family 1 member B4 0.02 0.6864 0.6778

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 18.526 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) 20.5962 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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

No literature references available for this target.

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