Drug Information

Drug General Information
Drug ID
D07TQN
Former ID
DCL000704
Drug Name
Asimadoline
Synonyms
Asimadoline [INN]; EMD 61753; N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide
Drug Type
Small molecular drug
Indication Diarrhea-predominant IBS [ICD9: 564.1; ICD10:K58.0] Phase 3 [536224]
Company
Merck
Structure
Download
2D MOL

3D MOL
Formula
C27H30N2O2
Canonical SMILES
CN(C(CN1CCC(C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=C<br />C=C4
InChI
1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1
InChIKey
JHLHNYVMZCADTC-LOSJGSFVSA-N
CAS Number
CAS 153205-46-0
PubChem Compound ID
179340
PubChem Substance ID
10259055, 14831298, 14904474, 33502484, 57395666, 80429293, 104429392, 124971522, 134339206, 134407652, 135157438, 137249411, 141967158, 160845458, 162220298, 175426945, 179149992, 184546345, 198945270, 224023749, 226519353, 252345309, 252450991
SuperDrug ATC ID
R05DA11
SuperDrug CAS ID
cas=036309010
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Agonist [536224]
KEGG Pathway Neuroactive ligand-receptor interaction
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Opioid prodynorphin pathway
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 536224Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.
Ref 536224Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.