Detailed information for compound 443902

Basic information

Technical information
  • TDR Targets ID: 443902
  • Name: 5-methyl-1H-pyrazole-3-carboxylic acid
  • MW: 126.113 | Formula: C5H6N2O2
  • H donors: 2 H acceptors: 3 LogP: 0.48 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(n[nH]1)C(=O)O
  • InChi: 1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9)
  • InChiKey: WSMQKESQZFQMFW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-methylpyrazole-3-carboxylic acid
  • 696-22-0
  • 402-61-9
  • ARONIS001555
  • ST5109068
  • Pyrazole-5-carboxylic acid, 3-methyl-
  • 3-Methylpyrazole-5-carboxylic acid
  • tetrazolo[1,5-a]pyridine-6-carboxylic acid
  • 5(OR 3)-METHYL-PYRAZOLE-3(OR 5)-CARBOXYLIC ACID
  • NSC1408
  • 1Y-0803
  • 4-25-00-00731 (Beilstein Handbook Reference)
  • BRN 0002906
  • Pyrazole-3-carboxylic acid, 5-methyl-
  • U 19425
  • InChI=1/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9
  • 644927_ALDRICH
  • SDCCGMLS-0065489.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxycarboxylic acid receptor 2 Starlite/ChEMBL References
Bos taurus D-aspartate oxidase Starlite/ChEMBL References
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References
Homo sapiens D-amino-acid oxidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127583 All targets in OG5_127583
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K00272 D-aspartate oxidase [EC1.4.3.1], putative Get druggable targets OG5_127583 All targets in OG5_127583
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Candida albicans D-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao Get druggable targets OG5_127583 All targets in OG5_127583
Candida albicans putative d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Candida albicans D-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Candida albicans putative d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO Get druggable targets OG5_127583 All targets in OG5_127583
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Mycobacterium ulcerans D-amino acid oxidase Aao Get druggable targets OG5_127583 All targets in OG5_127583
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans D-amino acid oxidase Aao D-aspartate oxidase   341 aa 379 aa 28.0 %
Mycobacterium ulcerans D-amino acid oxidase Aao D-amino-acid oxidase 347 aa 378 aa 24.6 %
Onchocerca volvulus Unconventional prefoldin RPB5 interactor 1 homolog D-aspartate oxidase   341 aa 340 aa 28.5 %
Echinococcus multilocularis G-protein coupled receptor, putative hydroxycarboxylic acid receptor 2 363 aa 294 aa 20.8 %
Candida albicans similar to putative d-amino acid oxidase D-aspartate oxidase   341 aa 391 aa 21.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0113 0.2644 0.2644
Onchocerca volvulus 0.0113 0.2644 1
Schistosoma mansoni amine GPCR 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0032 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Echinococcus multilocularis neuropeptide receptor A26 0.0113 0.2644 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0113 0.2644 1
Schistosoma mansoni neuropeptide receptor 0.0113 0.2644 0.2644
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0113 0.2644 0.2644
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0113 0.2644 1
Echinococcus granulosus g protein coupled receptor 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0113 0.2644 1
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0032 0.052 0.1965
Brugia malayi hypothetical protein 0.0113 0.2644 1
Echinococcus multilocularis neuropeptides capa receptor 0.0113 0.2644 1
Echinococcus multilocularis orexin receptor type 2 0.0113 0.2644 1
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0948 0.0948
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0113 0.2644 0.2644
Echinococcus multilocularis rhodopsin orphan GPCR 0.0113 0.2644 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0032 0.052 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Onchocerca volvulus 0.0113 0.2644 1
Schistosoma mansoni NAD dehydrogenase 0.0032 0.052 0.052
Echinococcus granulosus dro:myosuppressin receptor 0.0113 0.2644 1
Echinococcus granulosus neuropeptide s receptor 0.0113 0.2644 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Loa Loa (eye worm) TYRA-2 protein 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Loa Loa (eye worm) G-protein coupled receptor 0.0113 0.2644 0.2644
Echinococcus multilocularis neuropeptide s receptor 0.0113 0.2644 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0113 0.2644 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0113 0.2644 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni hypothetical protein 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni d-amino acid oxidase 0.039 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0113 0.2644 1
Echinococcus multilocularis serotonin receptor 0.0113 0.2644 1
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0032 0.052 0.5
Brugia malayi Dopamine receptor protein 1 0.0113 0.2644 1
Loa Loa (eye worm) neuropeptide F receptor 0.0113 0.2644 0.2644
Echinococcus granulosus neuropeptide receptor 0.0113 0.2644 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0113 0.2644 1
Echinococcus granulosus neuropeptide receptor 0.0113 0.2644 1
Schistosoma mansoni adenoreceptor 0.0113 0.2644 0.2644
Schistosoma mansoni biogenic amine (5HT) receptor 0.0113 0.2644 0.2644
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.084 0.3176
Onchocerca volvulus 0.0113 0.2644 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0113 0.2644 0.2644
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0113 0.2644 1
Onchocerca volvulus 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Echinococcus multilocularis sex peptide receptor 0.0113 0.2644 1
Onchocerca volvulus 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni growth hormone secretagogue receptor 0.0113 0.2644 0.2644
Brugia malayi putative neuropeptide receptor 0.0113 0.2644 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0032 0.052 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0113 0.2644 1
Echinococcus granulosus neuropeptides capa receptor 0.0113 0.2644 1
Onchocerca volvulus 0.0113 0.2644 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0113 0.2644 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0113 0.2644 1
Echinococcus granulosus orexin receptor type 2 0.0113 0.2644 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0113 0.2644 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0113 0.2644 0.2644
Echinococcus multilocularis neuropeptide receptor 0.0113 0.2644 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0113 0.2644 0.2644
Brugia malayi Serotonin receptor 0.0113 0.2644 1
Echinococcus multilocularis G protein coupled receptor 139 0.0113 0.2644 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0113 0.2644 1
Echinococcus granulosus neuropeptides capa receptor 0.0113 0.2644 1
Brugia malayi Serotonin receptor 0.0113 0.2644 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.084 0.3176
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Brugia malayi neuropeptide F receptor 0.0113 0.2644 1
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0032 0.052 0.5
Mycobacterium ulcerans D-amino acid oxidase Aao 0.039 1 1
Schistosoma mansoni biogenic amine receptor 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0032 0.052 0.5
Brugia malayi Melatonin receptor type 1A 0.0113 0.2644 1
Leishmania major hypothetical protein, conserved 0.0032 0.052 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0113 0.2644 0.2644
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0113 0.2644 0.2644
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0032 0.052 0.5
Schistosoma mansoni amine GPCR 0.0113 0.2644 0.2644
Echinococcus granulosus g protein coupled receptor 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.052 0.052
Schistosoma mansoni amine GPCR 0.0113 0.2644 0.2644
Echinococcus granulosus neuropeptide receptor A26 0.0113 0.2644 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0113 0.2644 0.2644
Echinococcus granulosus biogenic amine 5HT receptor 0.0113 0.2644 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0113 0.2644 1
Echinococcus granulosus neuropeptide Y receptor 0.0113 0.2644 1
Echinococcus multilocularis g protein coupled receptor 0.0113 0.2644 1
Schistosoma mansoni neuropeptide F-like receptor 0.0113 0.2644 0.2644
Brugia malayi hypothetical protein 0.0113 0.2644 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0113 0.2644 0.2644
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0113 0.2644 0.2644
Echinococcus multilocularis fmrfamide receptor 0.0113 0.2644 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0113 0.2644 1
Echinococcus multilocularis serotonin receptor 0.0113 0.2644 1
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0032 0.052 0.5
Echinococcus granulosus hypothetical protein 0.0113 0.2644 1
Onchocerca volvulus 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0032 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni neuropeptide F-like receptor 0.0113 0.2644 0.2644
Brugia malayi G-protein coupled receptor 0.0113 0.2644 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0762 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.084 0.084
Brugia malayi Dopamine receptor 0.0113 0.2644 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0113 0.2644 0.2644
Brugia malayi G protein-coupled receptor 0.0113 0.2644 1
Brugia malayi follicle stimulating hormone receptor 0.0113 0.2644 1
Schistosoma mansoni hypothetical protein 0.0113 0.2644 0.2644
Brugia malayi hypothetical protein 0.0113 0.2644 1
Brugia malayi larval opioid receptor 0.0113 0.2644 1
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0032 0.052 0.5
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0032 0.052 0.052
Schistosoma mansoni histamine h1 receptor 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0113 0.2644 1
Brugia malayi hypothetical protein 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni fad oxidoreductase 0.0032 0.052 0.052
Echinococcus multilocularis rhodopsin orphan GPCR 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Echinococcus granulosus rhodopsin orphan GPCR 0.0113 0.2644 1
Echinococcus multilocularis somatostatin receptor 0.0113 0.2644 1
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0032 0.052 0.1965
Echinococcus multilocularis allatostatin A receptor 0.0113 0.2644 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0113 0.2644 1
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0032 0.052 0.5
Schistosoma mansoni myosin xvIII 0.0113 0.2644 0.2644
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0032 0.052 0.5
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0032 0.052 0.5
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni alpha-1 adrenergic receptor 0.0113 0.2644 0.2644
Schistosoma mansoni neuropeptide receptor 0.0113 0.2644 0.2644
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0113 0.2644 0.2644
Toxoplasma gondii hypothetical protein 0.0032 0.052 0.5
Echinococcus granulosus serotonin receptor 0.0113 0.2644 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0113 0.2644 1
Echinococcus multilocularis neuropeptides capa receptor 0.0113 0.2644 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0113 0.2644 1
Echinococcus granulosus somatostatin receptor 0.0113 0.2644 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0113 0.2644 0.2644
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0113 0.2644 0.2644
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0113 0.2644 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0113 0.2644 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0762 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0113 0.2644 0.2644
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0032 0.052 0.5
Schistosoma mansoni fad oxidoreductase 0.0032 0.052 0.052
Brugia malayi G protein-coupled receptor F59B2.13 0.0113 0.2644 1
Brugia malayi neuropeptide F receptor 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Brugia malayi sulfakinin receptor protein 0.0113 0.2644 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0113 0.2644 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0032 0.052 0.5
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0113 0.2644 1
Echinococcus granulosus sex peptide receptor 0.0113 0.2644 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0113 0.2644 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0113 0.2644 1
Echinococcus granulosus tm gpcr rhodopsin 0.0113 0.2644 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0113 0.2644 0.2644
Echinococcus multilocularis fmrfamide receptor 0.0113 0.2644 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0113 0.2644 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0113 0.2644 0.2644
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.039 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0032 0.052 0.5
Brugia malayi AKH receptor 0.0113 0.2644 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0113 0.2644 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0032 0.052 0.1965
Brugia malayi hypothetical protein 0.0113 0.2644 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Echinococcus multilocularis neuropeptide Y receptor 0.0113 0.2644 1
Schistosoma mansoni hypothetical protein 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Echinococcus multilocularis g-protein coupled receptor 0.0113 0.2644 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0113 0.2644 0.2644
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0113 0.2644 1
Echinococcus multilocularis g protein coupled receptor 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.084 0.3176
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0032 0.052 0.5
Brugia malayi GnHR receptor homolog 0.0113 0.2644 1
Brugia malayi putative neuropeptide receptor NPR1 0.0113 0.2644 1
Schistosoma mansoni amine GPCR 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Brugia malayi hypothetical protein 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0113 0.2644 1
Schistosoma mansoni opsin-like receptor 0.0113 0.2644 0.2644
Echinococcus multilocularis dro:myosuppressin receptor 0.0113 0.2644 1
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0032 0.052 0.1965
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0032 0.052 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0113 0.2644 0.2644
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0113 0.2644 1
Echinococcus granulosus allatostatin A receptor 0.0113 0.2644 1
Brugia malayi Dopamine receptor protein 2 0.0113 0.2644 1
Onchocerca volvulus 0.0113 0.2644 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0113 0.2644 0.2644
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni neuropeptide receptor 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0357 0.9138 1
Schistosoma mansoni opsin-like receptor 0.0113 0.2644 0.2644
Echinococcus granulosus 7tm_1 domain containing protein 0.0113 0.2644 1
Onchocerca volvulus 0.0113 0.2644 1
Echinococcus granulosus g protein coupled receptor 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0032 0.052 0.052
Brugia malayi cDNA sequence BC016226 0.0032 0.052 0.1965
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0113 0.2644 1
Brugia malayi hypothetical protein 0.0113 0.2644 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0113 0.2644 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Onchocerca volvulus 0.0113 0.2644 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0113 0.2644 1
Schistosoma mansoni amine GPCR 0.0113 0.2644 0.2644
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0032 0.052 0.1965
Onchocerca volvulus 0.0113 0.2644 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0113 0.2644 1
Echinococcus granulosus tm gpcr rhodopsin 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0032 0.052 0.5
Onchocerca volvulus 0.0113 0.2644 1
Brugia malayi RE15519p 0.0113 0.2644 1
Echinococcus granulosus fmrfamide receptor 0.0113 0.2644 1
Echinococcus multilocularis g protein coupled receptor 0.0113 0.2644 1
Brugia malayi RE18450p 0.0032 0.052 0.1965
Echinococcus granulosus rhodopsin orphan GPCR 0.0113 0.2644 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0113 0.2644 1
Chlamydia trachomatis D-amino acid dehydrogenase 0.0032 0.052 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0113 0.2644 1
Echinococcus multilocularis neuropeptide Y receptor 0.0113 0.2644 1
Onchocerca volvulus 0.0113 0.2644 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0113 0.2644 0.2644
Schistosoma mansoni opsin-like receptor 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0113 0.2644 1
Echinococcus granulosus G protein coupled receptor 139 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Echinococcus multilocularis neuropeptide FF receptor 2 0.0113 0.2644 1
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0032 0.052 0.5
Schistosoma mansoni biogenic amine receptor 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0113 0.2644 0.2644
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0113 0.2644 1
Brugia malayi hypothetical protein 0.0113 0.2644 1
Onchocerca volvulus 0.0113 0.2644 1
Onchocerca volvulus 0.0113 0.2644 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0113 0.2644 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0684 0.0684
Onchocerca volvulus 0.0113 0.2644 1
Echinococcus multilocularis neuropeptide receptor 0.0113 0.2644 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0113 0.2644 0.2644
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0032 0.052 0.5
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Brugia malayi G-protein coupled receptor 0.0113 0.2644 1
Brugia malayi hypothetical protein 0.0113 0.2644 1
Echinococcus granulosus tm gpcr rhodopsin 0.0113 0.2644 1
Onchocerca volvulus 0.0113 0.2644 1
Brugia malayi hypothetical protein 0.0113 0.2644 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0113 0.2644 0.2644
Leishmania major hypothetical protein, conserved 0.0032 0.052 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0113 0.2644 0.2644
Loa Loa (eye worm) neuropeptide F receptor 0.0113 0.2644 0.2644
Echinococcus multilocularis rhodopsin orphan GPCR 0.0113 0.2644 1
Brugia malayi ORL1-like opioid receptor 0.0113 0.2644 1
Echinococcus granulosus g-protein coupled receptor 0.0113 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni biogenic amine (5HT) receptor 0.0113 0.2644 0.2644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0032 0.052 0.052
Schistosoma mansoni biogenic amine receptor 0.0113 0.2644 0.2644
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0948 0.0948
Schistosoma mansoni hypothetical protein 0.0113 0.2644 0.2644
Schistosoma mansoni neuropeptide receptor 0.0113 0.2644 0.2644
Echinococcus granulosus rhodopsin orphan GPCR 0.0113 0.2644 1
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0032 0.052 0.1965

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Reduction of free fatty acid level in ip dosed C57Bl/6 mouse plasma after 10 mins ChEMBL. 17452318
Activity (ADMET) Induction of flushing response in ip dosed C57Bl/6 mouse ChEMBL. 17452318
Activity (functional) Agonist activity at human GPR109b expressed in human adipocytes assessed as decrease in intracellular cAMP level upto 50 uM by HTRF assay ChEMBL. 17804224
Activity (functional) Agonist activity at human cloned GPR109b receptor at 100 uM by forskolin-stimulated cAMP production test ChEMBL. 17588745
Activity (functional) Agonist activity at human GPR109b expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay ChEMBL. 17804224
Activity (functional) 0 Agonist activity at human GPR109b expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay ChEMBL. 17804224
Activity (functional) 0 Agonist activity at human GPR109b expressed in human adipocytes assessed as decrease in intracellular cAMP level upto 50 uM by HTRF assay ChEMBL. 17804224
Activity (functional) 0 Agonist activity at human cloned GPR109b receptor at 100 uM by forskolin-stimulated cAMP production test ChEMBL. 17588745
Activity (functional) 0 Reduction of free fatty acid level in ip dosed C57Bl/6 mouse plasma after 10 mins ChEMBL. 17452318
Activity (functional) 0 Reduction of free fatty acid level in po dosed Sprague-Dawley rat plasma ChEMBL. 17452318
Activity (functional) 0 Reduction of free fatty acid level in po dosed Sprague-Dawley rat plasma ChEMBL. 17452318
Activity (ADMET) 0 Induction of flushing response in ip dosed C57Bl/6 mouse ChEMBL. 17452318
Activity (functional) = 75 % Reduction of free fatty acid level in po dosed Sprague-Dawley rat plasma relative to baseline ChEMBL. 17452318
AUC (ADMET) = 831 ng.ml/hr AUC (0 to last) in Swiss mouse brain at 30 mg/kg, po ChEMBL. 21880399
CL (ADMET) = 10 ml/min.kg Plasma clearance in Swiss mouse plasma at 10 mg/kg, iv ChEMBL. 21880399
Cmax (ADMET) = 359 ng/ml Cmax in Swiss mouse brain at 30 mg/kg, po ChEMBL. 21880399
EC50 (functional) = -7.61 Agonist activity at human GPR109a expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay ChEMBL. 17804224
EC50 (binding) = 900 nM Activation of GPR109A receptor (unknown origin) in CHOK1 cells assessed as ERK1/2 MAP kinase activation by ELISA ChEMBL. 17452318
EC50 (binding) = 900 nM Activation of GPR109A receptor (unknown origin) in CHOK1 cells assessed as ERK1/2 MAP kinase activation by ELISA ChEMBL. 17452318
EC50 (functional) = 0.46 uM Agonist activity at human cloned GPR109a receptor by forskolin-stimulated cAMP production test ChEMBL. 17588745
EC50 (functional) = 0.46 uM Agonist activity at human cloned GPR109a receptor by forskolin-stimulated cAMP production test ChEMBL. 17588745
EC50 (functional) > 1 uM Agonist activity at human GPR109a expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay ChEMBL. 17804224
EC50 (functional) > 1 uM Agonist activity at human GPR109a expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay ChEMBL. 17804224
EC50 (functional) = 1.4 uM Inhibition of isoproterenol-induced lipolysis in human subcutaneous adipocytes after 5 hrs ChEMBL. 17452318
Efficacy (functional) = 95 % Agonist activity at human GPR109a expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay in relative to niacin ChEMBL. 17804224
Efficacy (functional) = 95 % Agonist activity at human GPR109a expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay in relative to niacin ChEMBL. 17804224
F (ADMET) = 33 % Oral bioavailability (0 to last) in Swiss mouse plasma at 30 mg/kg ChEMBL. 21880399
IC50 (binding) > 5 Inhibition of bovine recombinant DASPO expressed in Escherichia coli preincubated for 15 mins by fluorescence assay ChEMBL. 21880399
IC50 (binding) > 5 Inhibition of human ERG expressed in HEK293 cells by whole cell voltage patch clamp technique ChEMBL. 21880399
IC50 (binding) = 473 nM Inhibition of human recombinant DAAO expressed in Escherichia coli assessed as H2O2 production from D-serine degradation after 30 mins by fluorescence assay ChEMBL. 21880399
IC50 (binding) = 910 nM Inhibition of human DAAO ChEMBL. 21880399
IC50 (binding) = 910 nM Inhibition of human D-amino acid oxidase ChEMBL. 25408840
IC50 (functional) = 434 uM Agonist activity at GPR109A receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of forskolin-induced intracellular cAMP production by Flashplate assay ChEMBL. 17452318
IC50 (functional) = 434 uM Agonist activity at GPR109A receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of forskolin-induced intracellular cAMP production by Flashplate assay ChEMBL. 17452318
Inhibition (functional) = 100 % Agonist activity at GPR109A receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of forskolin-induced intracellular cAMP production by Flashplate assay relative to nicotinic acid ChEMBL. 17452318
Inhibition (functional) = 100 % Agonist activity at GPR109A receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of forskolin-induced intracellular cAMP production by Flashplate assay relative to nicotinic acid ChEMBL. 17452318
Kd (binding) = 617 nM Binding affinity to human recombinant DAAO by isothermal titration calorimeter analysis ChEMBL. 21880399
Kd (binding) = 900 nM Binding affinity to human recombinant DAAO by kinetic study scintillation proximity assay ChEMBL. 21880399
Log EC50 (functional) = 7.61 Agonist activity at human GPR109a expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay ChEMBL. 17804224
T1/2 (ADMET) = 1 hr Terminal half life in Swiss mouse brain at 30 mg/kg, po ChEMBL. 21880399
T1/2 (binding) < 1 s Binding affinity to human recombinant DAAO assessed as drug-enzyme complex half life ChEMBL. 21880399
Tmax (ADMET) = 0.5 hr Tmax in Swiss mouse brain at 30 mg/kg, po ChEMBL. 21880399
Vd (ADMET) = 0.4 L/Kg Volume of distribution in Swiss mouse plasma at 10 mg/kg, iv ChEMBL. 21880399

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.
 
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External resources for this compound

Bibliographic References

5 literature references were collected for this gene.

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