Detailed information for compound 1307359

Basic information

Technical information
  • TDR Targets ID: 1307359
  • Name: 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboni trile
  • MW: 210.231 | Formula: C13H10N2O
  • H donors: 1 H acceptors: 3 LogP: 3.13 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc(c2ccccc2)c(nc1O)C
  • InChi: 1S/C13H10N2O/c1-9-12(10-5-3-2-4-6-10)7-11(8-14)13(16)15-9/h2-7H,1H3,(H,15,16)
  • InChiKey: OEKMRMSCUYJJHJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-keto-6-methyl-5-phenyl-1H-pyridine-3-carbonitrile
  • 4241-12-7
  • SMR000168550
  • Bionet2_000753
  • MLS000327999
  • Oprea1_153466
  • NSC81113
  • 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-5-phenyl-
  • NSC75409
  • Nicotinonitrile, 2-hydroxy-6-methyl-5-phenyl-
  • 4J-357S
  • ZINC01388528
  • 6-methyl-2-oxo-5-phenyl-1,2-dihydro-3-pyridinecarbonitrile
  • 2-Hydroxy-6-methyl-5-phenylnicotinonitrile
  • 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-5-phenyl- (9CI)
  • 3-Pyridinecarbonitrile, 2-hydroxy-6-methyl-5-phenyl-
  • NSC 75409
  • NSC 81113

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens galanin receptor 3 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
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
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
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
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 guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0046 0.1633 0.1633
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.1518 0.5115
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0022 0.0297 0.1002
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0154 0.0154
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.007 0.2967 1
Entamoeba histolytica protein kinase, putative 0.0059 0.2358 0.7948
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.237 0.7988
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.007 0.2967 0.3378
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0046 0.1633 0.5505
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0022 0.0297 0.0297
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2435 0.2435
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.1518 0.1518
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.007 0.2967 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0024 0.0433 0.1459
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.2967 1
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.1518 0.5115
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0024 0.0433 0.0433
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0046 0.1633 0.1502
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.2338 0.788
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.2967 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1518 0.5115
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.007 0.2967 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0154 0.0154
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0022 0.0297 0.1002
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1379 0.1379
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0046 0.1633 0.1633
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.007 0.2967 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.1518 0.5115
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.237 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.216 0.2037
Trichomonas vaginalis serine threonine-protein kinase, putative 0.0058 0.2338 0.788
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.2967 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.1518 0.5115
Loa Loa (eye worm) hypothetical protein 0.0041 0.1379 0.1379
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.007 0.2967 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0022 0.0297 0.1002
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0059 0.2358 0.2238
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0022 0.0297 0.1002
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.007 0.2967 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1518 0.5115
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.007 0.2967 0.3378
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 1 1
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.007 0.2967 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.216 0.2408
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.007 0.2967 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.216 0.216
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.1518 0.1518
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.1518 0.5115
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0048 0.1769 0.1769
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0046 0.1631 0.5498
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.2967 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.007 0.2967 0.3378
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.216 0.216
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1518 0.5115
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.1518 0.1385
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.1518 0.5115
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.216 0.2408
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1518 0.5115
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.237 0.2251
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.2967 1
Brugia malayi Ribonuclease 2-5A family protein 0.0059 0.2358 0.2358
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.215 0.215
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.216 0.2037
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 1 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.007 0.2967 0.2857
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.216 0.2408
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.007 0.2967 0.2857
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.1518 0.5115
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.007 0.2967 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0046 0.1633 0.1633
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.2967 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.007 0.2967 1
Entamoeba histolytica protein kinase, putative 0.0059 0.2358 0.7948
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0046 0.1631 0.5498
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0046 0.1631 0.5498
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.2358 0.2647
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.237 0.237
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0154 0.0154
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2435 0.2435
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0022 0.0297 0.1002
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.2967 1
Schistosoma mansoni hypothetical protein 0.0041 0.1379 0.1471
Schistosoma mansoni alpha-glucosidase 0.0169 0.8482 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.007 0.2967 0.3378
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.007 0.2967 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.007 0.2967 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.007 0.2967 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.007 0.2967 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.007 0.2967 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.007 0.2967 0.2857
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0046 0.1633 0.5505
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.007 0.2967 0.2857
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0046 0.1631 0.5498
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.007 0.2967 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1518 0.5115
Loa Loa (eye worm) hypothetical protein 0.006 0.2435 0.2435
Schistosoma mansoni alpha glucosidase 0.0044 0.1518 0.1637
Trypanosoma brucei glucosidase, putative 0.0044 0.1518 0.5115
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0024 0.0435 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.216 0.2037
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.007 0.2967 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.1518 0.5115
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.007 0.2967 0.2967
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0059 0.2358 0.2238
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Loa Loa (eye worm) IRE protein kinase 0.0059 0.2358 0.2358
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.237 0.2251
Schistosoma mansoni alpha-glucosidase 0.0169 0.8482 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2435 0.2435
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.1518 0.1385
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.216 0.2037
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0046 0.1633 0.1502
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.237 0.2661
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.007 0.2967 0.5
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.007 0.2967 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.2967 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.2967 1
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.007 0.2967 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.1518 0.5115
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0048 0.1769 0.1769
Onchocerca volvulus 0.0114 0.5404 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5.676 uM PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose response assay to identify antagonists of the Galanin Receptor 3 (GalR3). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) = 19.9526 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) = 19.9526 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) 25.1189 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 39.8107 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) 50.1187 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference

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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