Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Y7RV
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| Former ID |
DIB018959
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| Drug Name |
benzoquinazolinone 12
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| Synonyms |
benzoquinazolinone 12; SCHEMBL2404136; GTPL8549; 3-[(1S,2S)-2-hydroxycyclohexyl]-6-{[6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl]methyl}-3H,4H-benzo[h]quinazolin-4-one
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C28H27N5O2
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| Canonical SMILES |
CN1C=C(C=N1)C2=NC=C(C=C2)CC3=CC4=C(C5=CC=CC=C53)N=CN(C4=O)C6CCCCC6O
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| InChI |
1S/C28H27N5O2/c1-32-16-20(15-31-32)24-11-10-18(14-29-24)12-19-13-23-27(22-7-3-2-6-21(19)22)30-17-33(28(23)35)25-8-4-5-9-26(25)34/h2-3,6-7,10-11,13-17,25-26,34H,4-5,8-9,12H2,1H3/t25-,26-/m0/s1
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| InChIKey |
SXJQBWJPNSOKQV-UIOOFZCWSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Muscarinic acetylcholine receptor (CHRM) | Target Info | Modulator (allosteric modulator) | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| cAMP signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| PI3K-Akt signaling pathway | ||||
| Cholinergic synapse | ||||
| Regulation of actin cytoskeleton | ||||
| Pathwhiz Pathway | Muscle/Heart Contraction | |||
| Reactome | Muscarinic acetylcholine receptors | |||
| Acetylcholine regulates insulin secretion | ||||
| G alpha (q) signalling events | ||||
| WikiPathways | Monoamine GPCRs | |||
| Calcium Regulation in the Cardiac Cell | ||||
| Regulation of Actin Cytoskeleton | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Secretion of Hydrochloric Acid in Parietal Cells | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| 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: 8549). | |||
| REF 2 | Mechanistic insights into allosteric structure-function relationships at the M1 muscarinic acetylcholine receptor. J Biol Chem. 2014 Nov 28;289(48):33701-11. | |||
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