Drug Information

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
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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
3035433
PubChem Substance ID
10048376, 14962669, 36078905, 50065396, 52894101, 57353092, 103188060, 103930700, 111638952, 135077960, 136005210, 137125218, 137191288, 162220305, 198934898, 227258655, 241176868
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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