Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00OFV
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| Former ID |
DNC002334
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| Drug Name |
Asperlicin
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| Synonyms |
asperlicin; UNII-U0MJE9LRXV; 93413-04-8; U0MJE9LRXV; CHEMBL283117; (S-(2alpha,9beta,9(R*),9alpha,beta))-6,7-Dihydro-7-((2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-1H-imidazo(1,2-a)indol-9-yl)methyl)quinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione; Quinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione, 6,7-dihydro-7-((2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-1H-imidazo(1,2-a)indol-9-yl)methyl)-, (2S-(2alpha,9beta,9(R*),9abeta))-; C31H29N5O4; AC1MHZCP; SCHEMBL1004269; BDBM50019777; LS-178211
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| Drug Type |
Small molecular drug
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| Indication | Gastrointestinal disease [ICD-11: DE2Z] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C31H29N5O4
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| Canonical SMILES |
CC(C)CC1C(=O)N2C(N1)C(C3=CC=CC=C32)(CC4C5=NC6=CC=CC=C6C(=O)N5C7=CC=CC=C7C(=O)N4)O
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| InChI |
1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1
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| InChIKey |
MGMRIOLWEROPJY-FPACPZPDSA-N
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| CAS Number |
CAS 93413-04-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cholecystokinin receptor type A (CCKAR) | Target Info | Antagonist | [1] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Insulin secretion | ||||
| Pancreatic secretion | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Privileged structures: a useful concept for the rational design of new lead drug candidates. Mini Rev Med Chem. 2007 Nov;7(11):1108-19. | |||
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