Detailed information for compound 1466635

Basic information

Technical information
  • TDR Targets ID: 1466635
  • Name: 4-[3-(2-ethylpyridin-4-yl)phenyl]-7-methyl-8- (trifluoromethyl)-1,3-dihydro-1,5-benzodiazep in-2-one
  • MW: 423.43 | Formula: C24H20F3N3O
  • H donors: 1 H acceptors: 2 LogP: 5.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nccc(c1)c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
  • InChi: 1S/C24H20F3N3O/c1-3-18-11-16(7-8-28-18)15-5-4-6-17(10-15)20-13-23(31)30-22-12-19(24(25,26)27)14(2)9-21(22)29-20/h4-12H,3,13H2,1-2H3,(H,30,31)
  • InChiKey: CHTAULFZQPVWNJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[3-(2-ethyl-4-pyridyl)phenyl]-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Metabotropic glutamate receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum Metabotropic glutamate receptor precursor, putative Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus granulosus metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus granulosus metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum ko:K04606 glutamate receptor, metabotropic 3, putative Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi Metabotropic glutamate receptor precursor. Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) Get druggable targets OG5_127095 All targets in OG5_127095
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Metabotropic glutamate receptor 2   872 aa 774 aa 20.4 %
Loa Loa (eye worm) hypothetical protein Metabotropic glutamate receptor 2   872 aa 822 aa 21.2 %
Schistosoma mansoni metabotropic glutamate receptor Metabotropic glutamate receptor 2   872 aa 892 aa 26.9 %
Onchocerca volvulus Cell death abnormality protein 8 homolog Metabotropic glutamate receptor 2   872 aa 883 aa 43.3 %
Onchocerca volvulus Golgi-associated plant pathogenesis-related protein 1 homolog Metabotropic glutamate receptor 2   872 aa 884 aa 35.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0025 0.0036 0.0097
Echinococcus multilocularis lipoxygenase domain containing protein 0.0096 0.0879 0.0755
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0052 0.0362 0.0536
Onchocerca volvulus 0.0334 0.3693 0.4984
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0109 0.009
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0107 0.1015 0.1287
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0052 0.0362 0.0536
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0334 0.3693 1
Onchocerca volvulus 0.0107 0.1015 0.1191
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0069 0.0565 0.0658
Echinococcus granulosus voltage gated potassium channel subunit 0.0097 0.0887 0.0764
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0334 0.3693 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0107 0.1015 0.1287
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0145 0.0188
Echinococcus granulosus aldo keto reductase 0.0334 0.3693 0.3767
Echinococcus multilocularis aldo keto reductase 0.0334 0.3693 0.3767
Plasmodium vivax amine transporter, putative 0.0107 0.1015 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0077 0.0001
Trichomonas vaginalis aldo-keto reductase, putative 0.0334 0.3693 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0203 0.035
Trichomonas vaginalis aldo-keto reductase, putative 0.0334 0.3693 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0334 0.3693 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0334 0.3693 1
Onchocerca volvulus 0.0334 0.3693 0.4984
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0107 0.1015 0.09
Plasmodium falciparum amino acid transporter, putative 0.0107 0.1015 1
Loa Loa (eye worm) oxidoreductase 0.0334 0.3693 0.5086
Loa Loa (eye worm) hypothetical protein 0.0075 0.0633 0.0841
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0203 0.035
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0107 0.1015 0.1287
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0633 0.7235 1
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0036 0.0173 0.0469
Schistosoma mansoni sodium/chloride dependent transporter 0.0107 0.1015 0.1287
Onchocerca volvulus 0.0097 0.0887 0.1011
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0334 0.3693 0.3767
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0334 0.3693 0.3767
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0203 0.035
Schistosoma mansoni pol-related 0.0334 0.3693 0.5039
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0574 0.654 0.6814
Echinococcus multilocularis sodium and chloride dependent glycine 0.0107 0.1015 0.09
Echinococcus multilocularis aldehyde reductase 0.0237 0.2549 0.2542
Schistosoma mansoni lipoxygenase 0.0402 0.4495 0.6162
Plasmodium falciparum LCCL domain-containing protein 0.0096 0.0879 0.839
Onchocerca volvulus 0.0334 0.3693 0.4984
Schistosoma mansoni sodium/chloride dependent transporter 0.0107 0.1015 0.1287
Toxoplasma gondii aldo-keto reductase 0.0097 0.0887 0.2027
Giardia lamblia Aldose reductase 0.0334 0.3693 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0075 0.0633 0.0492
Echinococcus granulosus aldo keto reductase 0.0334 0.3693 0.3767
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0107 0.1015 0.1287
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0334 0.3693 0.3767
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0107 0.1015 0.09
Echinococcus granulosus serotonin transporter 0.0633 0.7235 0.7557
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0107 0.1015 0.239
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0107 0.1015 0.1287
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0052 0.0362 0.0536
Loa Loa (eye worm) norepinephrine transporter 0.0633 0.7235 1
Giardia lamblia GTOR 0.0052 0.0362 0.0536
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0826 0.9518 1
Schistosoma mansoni aldo-keto reductase 0.0334 0.3693 0.5039
Echinococcus multilocularis Polycystic kidney disease protein 0.0096 0.0879 0.0755
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0097 0.0887 0.8483
Brugia malayi hypothetical protein 0.0107 0.1015 0.1287
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0107 0.1015 0.1287
Trypanosoma cruzi aldo/keto reductase, putative 0.0097 0.0887 0.2027
Echinococcus multilocularis voltage gated potassium channel subunit 0.0097 0.0887 0.0764
Trichomonas vaginalis aldo-keto reductase, putative 0.0334 0.3693 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0097 0.0887 0.2027
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0107 0.1015 0.1287
Echinococcus multilocularis aldo keto reductase 0.0334 0.3693 0.3767
Toxoplasma gondii aldose reductase, putative 0.0334 0.3693 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0334 0.3693 0.3767
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0075 0.0633 0.0492
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0042 0.0236 0.0178
Treponema pallidum sodium- and chloride- dependent transporter 0.0633 0.7235 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0107 0.1015 0.09
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0334 0.3693 1
Mycobacterium ulcerans hypothetical protein 0.0097 0.0887 0.0726
Brugia malayi NADH-dependent xylose reductase 0.0097 0.0887 0.1109
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0051 0.0349 0.0188
Plasmodium vivax multidomain scavenger receptor, putative 0.0096 0.0879 0.839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0077 0.0001
Plasmodium falciparum transporter, putative 0.0107 0.1015 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0158 0.0225
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0097 0.0887 0.2027
Onchocerca volvulus 0.0334 0.3693 0.4984
Echinococcus granulosus tm gpcr rhodopsin 0.0826 0.9518 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1015 0.137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0109 0.009
Echinococcus multilocularis sodium and chloride dependent glycine 0.0107 0.1015 0.09
Onchocerca volvulus 0.0096 0.0879 0.0999
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0329 0.3642 1
Trichomonas vaginalis conserved hypothetical protein 0.0097 0.0887 0.2241
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0113 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0235 0.0439
Schistosoma mansoni polycystin 1-related 0.0096 0.0879 0.1098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0203 0.035
Entamoeba histolytica alcohol dehydrogenase, putative 0.0097 0.0887 0.2027
Loa Loa (eye worm) oxidoreductase 0.0334 0.3693 0.5086
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.0887 0.2241
Loa Loa (eye worm) doublecortin family protein 0.0096 0.0879 0.1182
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0097 0.0887 0.2027
Echinococcus granulosus metabotropic glutamate receptor 2 0.0051 0.0349 0.0188
Schistosoma mansoni metabotropic glutamate receptor 0.0051 0.0349 0.0355
Echinococcus granulosus lipoxygenase domain containing protein 0.0096 0.0879 0.0755
Toxoplasma gondii hypothetical protein 0.0107 0.1015 0.239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0235 0.0439
Loa Loa (eye worm) oxidoreductase 0.0334 0.3693 0.5086
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0334 0.3693 0.3767
Loa Loa (eye worm) oxidoreductase 0.0334 0.3693 0.5086
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.0887 0.2241
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0203 0.035
Mycobacterium ulcerans oxidoreductase 0.0334 0.3693 0.3582
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0107 0.1015 0.1287
Trichomonas vaginalis aldo-keto reductase, putative 0.0334 0.3693 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0107 0.1015 0.09
Loa Loa (eye worm) hypothetical protein 0.0036 0.0173 0.0203
Trichomonas vaginalis aldo-keto reductase, putative 0.0334 0.3693 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0334 0.3693 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0334 0.3693 0.3767
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0334 0.3693 0.3767
Loa Loa (eye worm) solute carrier family 6 member 4 0.0633 0.7235 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1015 0.137
Loa Loa (eye worm) hypothetical protein 0.0334 0.3693 0.5086
Loa Loa (eye worm) hypothetical protein 0.0107 0.1015 0.137
Entamoeba histolytica aldose reductase, putative 0.0334 0.3693 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0052 0.0362 0.0374
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0107 0.1015 0.09
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0334 0.3693 0.3767
Trichomonas vaginalis aldo/keto reductase, putative 0.0334 0.3693 1
Trypanosoma brucei prostaglandin f synthase 0.0334 0.3693 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0879 0.1182
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.0887 0.2241
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0107 0.1015 0.137
Echinococcus multilocularis RUN 0.0096 0.0879 0.0755
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0235 0.0439
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0334 0.3693 0.3767
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0055 0.0398 0.0424
Loa Loa (eye worm) hypothetical protein 0.0107 0.1015 0.137
Schistosoma mansoni lipoxygenase 0.0574 0.654 0.9027
Echinococcus granulosus aldehyde reductase 0.0237 0.2549 0.2542
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0334 0.3693 0.3767
Onchocerca volvulus 0.0096 0.0879 0.0999
Plasmodium falciparum aldehyde reductase, putative 0.0097 0.0887 0.8483
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0334 0.3693 1
Echinococcus multilocularis serotonin transporter 0.0633 0.7235 0.7557
Schistosoma mansoni sodium/chloride dependent transporter 0.0633 0.7235 1
Echinococcus multilocularis aldo keto reductase 0.0334 0.3693 0.3767
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0334 0.3693 0.3767
Loa Loa (eye worm) oxidoreductase 0.0334 0.3693 0.5086
Schistosoma mansoni potassium channel beta 0.0097 0.0887 0.1109
Echinococcus granulosus sodium and chloride dependent glycine 0.0107 0.1015 0.09
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0334 0.3693 0.3767
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0334 0.3693 0.3767
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0203 0.035
Trichomonas vaginalis aldo-keto reductase, putative 0.0334 0.3693 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0334 0.3693 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0107 0.1015 0.1287
Loa Loa (eye worm) glutamate receptor 0.0061 0.0466 0.0609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0235 0.0439
Toxoplasma gondii target of rapamycin (TOR), putative 0.0039 0.0203 0.0085
Echinococcus granulosus Polycystic kidney disease protein 0.0096 0.0879 0.0755
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0203 0.035
Brugia malayi Metabotropic glutamate receptor precursor. 0.0061 0.0466 0.0519
Entamoeba histolytica alcohol dehydrogenase, putative 0.0097 0.0887 0.2027
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0334 0.3693 0.3767
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0574 0.654 0.6814
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0042 0.0236 0.0639
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0097 0.0887 0.0764
Plasmodium falciparum aldo-keto reductase, putative 0.0097 0.0887 0.8483
Trypanosoma brucei aldo/keto reductase, putative 0.0097 0.0887 0.2402
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0107 0.1015 0.239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0272 0.0539
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0052 0.0362 0.0202
Onchocerca volvulus 0.0334 0.3693 0.4984
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0334 0.3693 0.3767
Loa Loa (eye worm) hypothetical protein 0.0633 0.7235 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0077 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0077 0.0001
Trichomonas vaginalis aldo/keto reductase, putative 0.0334 0.3693 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0107 0.1015 0.1287
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0107 0.1015 0.1287
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0052 0.0362 0.098
Trypanosoma cruzi target of rapamycin kinase 3 0.0042 0.0236 0.0178
Echinococcus granulosus lipoxygenase domain containing protein 0.0096 0.0879 0.0755
Brugia malayi Doublecortin family protein 0.0096 0.0879 0.1098
Mycobacterium leprae Conserved hypothetical protein 0.0237 0.2549 0.1824
Toxoplasma gondii hypothetical protein 0.0107 0.1015 0.239
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0036 0.0173 0.0109
Loa Loa (eye worm) hypothetical protein 0.0107 0.1015 0.137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0113 0.01
Giardia lamblia Aldose reductase 0.0334 0.3693 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0334 0.3693 0.5039
Onchocerca volvulus 0.0107 0.1015 0.1191
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0052 0.0362 0.0202
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0036 0.0173 0.0109
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0235 0.0439
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0107 0.1015 0.09
Schistosoma mansoni rab6-interacting 0.0096 0.0879 0.1098
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0097 0.0887 0.2241
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0052 0.0362 0.098
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0867 1 0.5
Entamoeba histolytica aldose reductase, putative 0.0334 0.3693 1
Schistosoma mansoni rab6-interacting 0.0096 0.0879 0.1098
Loa Loa (eye worm) hypothetical protein 0.0107 0.1015 0.137
Loa Loa (eye worm) hypothetical protein 0.0096 0.0879 0.1182
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0107 0.1015 0.1287
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0334 0.3693 1
Echinococcus granulosus hypothetical protein 0.0334 0.3693 0.3767
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0362 0.0789
Brugia malayi hypothetical protein 0.0096 0.0879 0.1098
Trypanosoma cruzi aldo-keto reductase 0.0334 0.3693 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0334 0.3693 0.3079
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0107 0.1015 0.137
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0107 0.1015 0.239
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0334 0.3693 0.3079
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0334 0.3693 0.5039
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0107 0.1015 0.09
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0334 0.3693 0.3767
Trichomonas vaginalis aldo-keto reductase, putative 0.0334 0.3693 1
Loa Loa (eye worm) hypothetical protein 0.0633 0.7235 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0362 0.0789
Onchocerca volvulus 0.0334 0.3693 0.4984
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0052 0.0362 0.0536
Entamoeba histolytica aldose reductase, putative 0.0334 0.3693 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0334 0.3693 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0334 0.3693 0.3767
Trichomonas vaginalis aldo-keto reductase, putative 0.0334 0.3693 1
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0867 1 1
Brugia malayi hypothetical protein 0.0096 0.0879 0.1098
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0334 0.3693 0.5039
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0334 0.3693 0.5039
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0052 0.0362 0.0536
Echinococcus granulosus RUN 0.0096 0.0879 0.0755
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0362 0.0789
Leishmania major aldo-keto reductase-like protein 0.0334 0.3693 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1015 0.137
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0107 0.1015 0.1287
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0334 0.3693 0.3767
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0097 0.0887 0.1193
Schistosoma mansoni loxhd1 0.0096 0.0879 0.1098
Echinococcus multilocularis aldo keto reductase 0.0334 0.3693 0.3767
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0334 0.3693 0.3767
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0113 0.01
Plasmodium vivax hypothetical protein, conserved 0.0107 0.1015 1
Onchocerca volvulus 0.0633 0.7235 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0107 0.1015 0.09
Leishmania major prostaglandin f synthase, putative 0.0334 0.3693 1
Echinococcus granulosus aldo keto reductase 0.0334 0.3693 0.3767
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0036 0.0173 0.0267
Onchocerca volvulus 0.0107 0.1015 0.1191
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0633 0.7235 1
Trypanosoma brucei aldo-keto reductase, putative 0.0334 0.3693 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0052 0.0362 0.0374
Loa Loa (eye worm) hypothetical protein 0.0633 0.7235 1
Loa Loa (eye worm) serotonin transporter b 0.0633 0.7235 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0052 0.0362 0.0464
Plasmodium vivax aldehyde reductase, putative 0.0097 0.0887 0.8483
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0097 0.0887 0.1109
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0052 0.0362 0.0536
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0334 0.3693 0.3767
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0036 0.0173 0.0109
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0867 1 1
Schistosoma mansoni aldo-keto reductase 0.0334 0.3693 0.5039
Echinococcus multilocularis lipoxygenase domain containing protein 0.0096 0.0879 0.0755
Schistosoma mansoni hypothetical protein 0.0096 0.0879 0.1098
Trichomonas vaginalis aldo-keto reductase, putative 0.0334 0.3693 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.005 uM Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP production ChEMBL. 20971004
IC50 (binding) = 0.008 uM Partial displacement of [3H]LY354740 from recombinant rat mGluR2 ChEMBL. 20971004

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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