Drug Information
Drug General Information | Top | |||
---|---|---|---|---|
Drug ID |
D0C3AN
|
|||
Former ID |
DIB002452
|
|||
Drug Name |
SSR-146977
|
|||
Synonyms |
N-[1-[3-[1-Benzoyl-3(R)-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N',N'-dimethylurea
Click to Show/Hide
|
|||
Drug Type |
Small molecular drug
|
|||
Indication | Psychotic disorder [ICD-11: 6A20-6A25] | Discontinued in Phase 1 | [1], [2] | |
Structure |
Download2D MOL |
|||
Formula |
C35H42Cl2N4O2
|
|||
Canonical SMILES |
CN(C)C(=O)NC1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5
|
|||
InChI |
1S/C35H42Cl2N4O2/c1-39(2)33(43)38-35(28-13-7-4-8-14-28)19-23-40(24-20-35)21-9-17-34(29-15-16-30(36)31(37)25-29)18-10-22-41(26-34)32(42)27-11-5-3-6-12-27/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3,(H,38,43)/t34-/m0/s1
|
|||
InChIKey |
XWPBINGFFFZAOZ-UMSFTDKQSA-N
|
|||
CAS Number |
CAS 264618-44-2
|
|||
PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
---|---|---|---|---|
Target(s) | Neuromedin-K receptor (TACR3) | Target Info | Antagonist | [3] |
KEGG Pathway | Calcium signaling pathway | |||
Neuroactive ligand-receptor interaction | ||||
Reactome | G alpha (q) signalling events | |||
WikiPathways | Gastrin-CREB signalling pathway via PKC and MAPK | |||
Peptide GPCRs | ||||
GPCR ligand binding | ||||
GPCR downstream signaling |
References | Top | |||
---|---|---|---|---|
REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2133). | |||
REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800014351) | |||
REF 3 | Biochemical and pharmacological activities of SSR 146977, a new potent nonpeptide tachykinin NK3 receptor antagonist. Can J Physiol Pharmacol. 2002 May;80(5):482-8. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.