Detailed information for compound 1312248

Basic information

Technical information
  • TDR Targets ID: 1312248
  • Name: 3-[[1-(1-cyclohexyltetrazol-5-yl)propyl-(fura n-2-ylmethyl)amino]methyl]-7-methoxy-1H-quino lin-2-one
  • MW: 476.571 | Formula: C26H32N6O3
  • H donors: 1 H acceptors: 5 LogP: 4.38 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1nnnn1C1CCCCC1)N(Cc1cc2ccc(cc2nc1O)OC)Cc1ccco1
  • InChi: 1S/C26H32N6O3/c1-3-24(25-28-29-30-32(25)20-8-5-4-6-9-20)31(17-22-10-7-13-35-22)16-19-14-18-11-12-21(34-2)15-23(18)27-26(19)33/h7,10-15,20,24H,3-6,8-9,16-17H2,1-2H3,(H,27,33)
  • InChiKey: MQBHBJLOQVCJKS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[1-(1-cyclohexyltetrazol-5-yl)propyl-(2-furylmethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
  • 3-[[1-(1-cyclohexyl-5-tetrazolyl)propyl-(2-furylmethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
  • 3-[[1-(1-cyclohexyltetrazol-5-yl)propyl-(2-furylmethyl)amino]methyl]-7-methoxy-carbostyril
  • 3-[[1-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)propyl-(furan-2-ylmethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
  • Oprea1_770942
  • 3-({[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-propyl]-furan-2-ylmethyl-amino}-methyl)-7-methoxy-1H-quinolin-2-one
  • MLS000032045
  • SMR000004383
  • ASN 05299787

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
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 NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1446 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0316 0.0316
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1446 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1446 1 1
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0064 0.0064
Trichomonas vaginalis aldo-keto reductase, putative 0.1446 1 1
Mycobacterium ulcerans hypothetical protein 0.0419 0.2848 0.2517
Brugia malayi isocitrate dehydrogenase 0.0019 0.0064 0.0064
Plasmodium vivax aldehyde reductase, putative 0.0419 0.2848 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1446 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0283 0.1899 0.1899
Echinococcus granulosus geminin 0.0205 0.1356 0.1356
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1446 1 1
Loa Loa (eye worm) hypothetical protein 0.1446 1 1
Echinococcus granulosus aldehyde reductase 0.1027 0.7084 0.7084
Trichomonas vaginalis aldo-keto reductase, putative 0.1446 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0064 0.0064
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0442 0.0442
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1446 1 1
Schistosoma mansoni pol-related 0.1446 1 1
Trypanosoma cruzi aldo-keto reductase 0.1446 1 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0419 0.2848 0.267
Brugia malayi NADH-dependent xylose reductase 0.0419 0.2848 0.2848
Echinococcus multilocularis aldo keto reductase 0.1446 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1446 1 1
Schistosoma mansoni aldo-keto reductase 0.1446 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1446 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0316 0.0316
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0243 0.0243
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1446 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0064 0.0064
Trypanosoma brucei prostaglandin f synthase 0.1446 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1446 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1446 1 1
Brugia malayi follicle stimulating hormone receptor 0.0283 0.1899 0.1899
Echinococcus granulosus voltage gated potassium channel subunit 0.0419 0.2848 0.2848
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.1446 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0243 0.0243
Echinococcus multilocularis neuropeptide s receptor 0.056 0.3833 0.3833
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1446 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0419 0.2848 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0419 0.2848 0.267
Onchocerca volvulus 0.1446 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1446 1 1
Schistosoma mansoni potassium channel beta 0.0419 0.2848 0.2848
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0064 0.0064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0316 0.0316
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1446 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0419 0.2848 0.2802
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0243 0.0243
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0243 0.0179
Mycobacterium ulcerans oxidoreductase 0.1446 1 1
Giardia lamblia Aldose reductase 0.1446 1 1
Echinococcus granulosus aldo keto reductase 0.1446 1 1
Onchocerca volvulus 0.1446 1 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0243 0.0243
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0419 0.2848 0.2802
Trichomonas vaginalis aldo/keto reductase, putative 0.1446 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0442 0.0442
Echinococcus multilocularis neuropeptide receptor A26 0.056 0.3833 0.3833
Echinococcus granulosus hypothetical protein 0.1446 1 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0064 0.0064
Echinococcus granulosus neuropeptide receptor A26 0.056 0.3833 0.3833
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1446 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1446 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1446 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0419 0.2848 0.267
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1446 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0442 0.038
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0243 0.0243
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1446 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1446 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0419 0.2848 0.2848
Echinococcus multilocularis geminin 0.0205 0.1356 0.1356
Onchocerca volvulus 0.1446 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1446 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.1356 0.1356
Trypanosoma cruzi aldo/keto reductase, putative 0.0419 0.2848 0.2802
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0442 0.0442
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0316 0.0316
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0243 0.0179
Loa Loa (eye worm) hypothetical protein 0.0045 0.0243 0.0243
Loa Loa (eye worm) oxidoreductase 0.1446 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0419 0.2848 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1446 1 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0243 0.0243
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.1446 1 1
Leishmania major aldo-keto reductase-like protein 0.1446 1 1
Entamoeba histolytica aldose reductase, putative 0.1446 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0419 0.2848 0.267
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0442 0.0442
Plasmodium falciparum aldehyde reductase, putative 0.0419 0.2848 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0316 0.0316
Mycobacterium tuberculosis Probable oxidoreductase 0.1446 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0935 0.0935
Echinococcus multilocularis aldehyde reductase 0.1027 0.7084 0.7084
Trichomonas vaginalis aldo-keto reductase, putative 0.1446 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1446 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0419 0.2848 0.2802
Loa Loa (eye worm) oxidoreductase 0.1446 1 1
Echinococcus granulosus aldo keto reductase 0.1446 1 1
Toxoplasma gondii aldo-keto reductase 0.0419 0.2848 0.2802
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.1446 1 1
Echinococcus multilocularis aldo keto reductase 0.1446 1 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0243 0.0243
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0243 0.0179
Trichomonas vaginalis aldo-keto reductase, putative 0.1446 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1446 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0316 0.0316
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0419 0.2848 0.2802
Onchocerca volvulus 0.1446 1 1
Leishmania major prostaglandin f synthase, putative 0.1446 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0064 0.0064
Loa Loa (eye worm) oxidoreductase 0.1446 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0064 0.0064
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0243 0.0243
Trichomonas vaginalis aldo-keto reductase, putative 0.1446 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0064 0.0064
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1446 1 1
Toxoplasma gondii aldose reductase, putative 0.1446 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1446 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0442 0.038
Echinococcus granulosus aldo keto reductase 0.1446 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1446 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1446 1 1
Echinococcus multilocularis aldo keto reductase 0.1446 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1446 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0442 0.038
Echinococcus multilocularis voltage gated potassium channel subunit 0.0419 0.2848 0.2848
Trichomonas vaginalis aldo-keto reductase, putative 0.1446 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1446 1 1
Loa Loa (eye worm) oxidoreductase 0.1446 1 1
Entamoeba histolytica aldose reductase, putative 0.1446 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0935 0.0935
Trypanosoma brucei aldo-keto reductase, putative 0.1446 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1446 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0419 0.2848 0.2848
Trypanosoma cruzi aldo/keto reductase, putative 0.1446 1 1
Entamoeba histolytica aldose reductase, putative 0.1446 1 1
Schistosoma mansoni aldo-keto reductase 0.1446 1 1
Loa Loa (eye worm) oxidoreductase 0.1446 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0316 0.0316
Mycobacterium leprae Conserved hypothetical protein 0.1027 0.7084 0.5922
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1446 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0419 0.2848 0.2848
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0243 0.0243
Echinococcus multilocularis aldo keto reductase 0.1446 1 1
Giardia lamblia Aldose reductase 0.1446 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.1356 0.1356
Entamoeba histolytica alcohol dehydrogenase, putative 0.0419 0.2848 0.267
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0316 0.0316
Onchocerca volvulus 0.1446 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0419 0.2848 0.267
Trichomonas vaginalis conserved hypothetical protein 0.0419 0.2848 0.267
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0316 0.0316
Mycobacterium tuberculosis Conserved protein 0.0419 0.2848 0.2802
Onchocerca volvulus 0.1446 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1446 1 1
Brugia malayi MH2 domain containing protein 0.0144 0.0935 0.0935
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0243 0.0179
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1446 1 1
Echinococcus granulosus neuropeptide s receptor 0.056 0.3833 0.3833
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0064 0.0064

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3753 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) 11.2202 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.6892 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): Confirmation of Cherrypicks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) 23.1093 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) 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 HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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) 35.4813 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae 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.

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