Drug General Information
Drug ID
D00OFV
Former ID
DNC002334
Drug Name
Asperlicin
Drug Type
Small molecular drug
Indication Gastrointestinal disease [ICD10:K00-K93] Investigative [536549]
Structure
Download
2D MOL

3D 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
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
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Cholecystokinin receptor type A Target Info Antagonist [536549]
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 536549Privileged structures: a useful concept for the rational design of new lead drug candidates. Mini Rev Med Chem. 2007 Nov;7(11):1108-19.
Ref 536549Privileged 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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