Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D07TQN
|
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| Former ID |
DCL000704
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| Drug Name |
Asimadoline
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| Synonyms |
Asimadoline [INN]; EMD 61753; N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide
|
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| Drug Type |
Small molecular drug
|
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| Indication | Diarrhea-predominant IBS [ICD9: 564.1; ICD10:K58.0] | Phase 3 | [1] | ||
| Company |
Merck
|
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| Structure |
|
Download2D MOL |
|||
| Formula |
C27H30N2O2
|
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| Canonical SMILES |
CN(C(CN1CCC(C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=C<br />C=C4
|
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| 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
|
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| InChIKey |
JHLHNYVMZCADTC-LOSJGSFVSA-N
|
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| CAS Number |
CAS 153205-46-0
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| SuperDrug ATC ID |
R05DA11
|
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| SuperDrug CAS ID |
cas=036309010
|
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| Target and Pathway | |||||
| Target(s) | Kappa-type opioid receptor | Target Info | Agonist | [1] | |
| 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 1 | Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313. | ||||
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