Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D05YMP
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| Former ID |
DIB018283
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| Drug Name |
[3H]EM-TBPC
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| Synonyms |
1-Ethyl-2-methyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile; EM-TBPC; GTPL3363; GTPL1390; SCHEMBL6952709; E-165; 1-ethyl-2-methyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile; 1-Ethyl-2-methyl-6-oxo-4-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-1,6-dihydro-pyrimidine-5-carbonitrile; 1-ethyl-2-methyl-6-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)-1,6-dihydropyrimidine-5-carbonitrile
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C18H20N4O
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| Canonical SMILES |
CCN1C(=NC(=C(C1=O)C#N)N2CCC3=CC=CC=C3CC2)C
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| InChI |
1S/C18H20N4O/c1-3-22-13(2)20-17(16(12-19)18(22)23)21-10-8-14-6-4-5-7-15(14)9-11-21/h4-7H,3,8-11H2,1-2H3
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| InChIKey |
QNUVWRAGDSGAKX-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Metabotropic glutamate receptor 1 (mGluR1) | Target Info | Modulator (allosteric modulator) | [3] |
| KEGG Pathway | Calcium signaling pathway | |||
| FoxO signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Gap junction | ||||
| Long-term potentiation | ||||
| Retrograde endocannabinoid signaling | ||||
| Glutamatergic synapse | ||||
| Long-term depression | ||||
| Estrogen signaling pathway | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | |||
| Metabotropic glutamate receptor group III pathway | ||||
| Metabotropic glutamate receptor group I pathway | ||||
| Endogenous cannabinoid signaling | ||||
| Reactome | G alpha (q) signalling events | |||
| Class C/3 (Metabotropic glutamate/pheromone receptors) | ||||
| WikiPathways | Hypothetical Network for Drug Addiction | |||
| GPCRs, Class C Metabotropic glutamate, pheromone | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1390). | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3363). | |||
| REF 3 | Mutational analysis and molecular modeling of the allosteric binding site of a novel, selective, noncompetitive antagonist of the metabotropic glut... J Biol Chem. 2003 Mar 7;278(10):8340-7. | |||
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