Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D00OFV
|
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| Former ID |
DNC002334
|
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| Drug Name |
Asperlicin
|
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| Drug Type |
Small molecular drug
|
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| Indication | Gastrointestinal disease [ICD10:K00-K93] | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C31H29N5O4
|
||||
| Canonical SMILES |
CC(C)CC1C(=O)N2C(N1)C(C3=CC=CC=C32)(CC4C5=NC6=CC=CC=C6C<br />(=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
|
||||
| InChIKey |
MGMRIOLWEROPJY-FPACPZPDSA-N
|
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Cholecystokinin receptor type A | 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 | |||||
| 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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