Detailed information for compound 1261827

Basic information

Technical information
  • TDR Targets ID: 1261827
  • Name: 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpr opyl]-(furan-2-ylmethyl)amino]methyl]-7-metho xy-1H-quinolin-2-one
  • MW: 490.597 | Formula: C27H34N6O3
  • H donors: 1 H acceptors: 5 LogP: 4.82 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)nc(c(c2)CN(C(c1nnnn1C1CCCCC1)C(C)C)Cc1ccco1)O
  • InChi: 1S/C27H34N6O3/c1-18(2)25(26-29-30-31-33(26)21-8-5-4-6-9-21)32(17-23-10-7-13-36-23)16-20-14-19-11-12-22(35-3)15-24(19)28-27(20)34/h7,10-15,18,21,25H,4-6,8-9,16-17H2,1-3H3,(H,28,34)
  • InChiKey: MBDUXQUNTFFCDU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methyl-propyl]-(2-furylmethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
  • 3-[[[1-(1-cyclohexyl-5-tetrazolyl)-2-methylpropyl]-(2-furylmethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
  • 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methyl-propyl]-(2-furylmethyl)amino]methyl]-7-methoxy-carbostyril
  • 3-[[[1-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-2-methyl-propyl]-(furan-2-ylmethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
  • Oprea1_868921
  • MLS000889253
  • 3-({[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-2-methyl-propyl]-furan-2-ylmethyl-amino}-methyl)-7-methoxy-1H-quinolin-2-one
  • MLS000072286
  • SMR000004517
  • ASN 05379205

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
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
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 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) 2.0787 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) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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