Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0UT3F
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| Former ID |
DIB012617
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| Drug Name |
Nolpitantium besilate
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| Synonyms |
SR-140333; SR-140333B
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| Drug Type |
Small molecular drug
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| Indication | Asthma [ICD-11: CA23; ICD-10: J45, J45.8; ICD-9: 493] | Discontinued in Phase 2 | [1], [2] | |
| Company |
Sanofi-Synthelabo; Sanofi-aventis
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| Structure |
 |
Download2D MOL
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| Formula |
C43H50Cl2N2O5S
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| Canonical SMILES |
CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCC(C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl.C1=CC=C(C=C1)S(=O)(=O)[O-]
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| InChI |
1S/C37H45Cl2N2O2.C6H6O3S/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30;7-10(8,9)6-4-2-1-3-5-6/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1/t36?,37-,41?;/m1./s1
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| InChIKey |
PQRLQZNKDQQMBC-LSYPWIJNSA-M
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| CAS Number |
CAS 155418-06-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Substance-P receptor (TACR1) | Target Info | Antagonist | [3] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Measles | ||||
| Panther Pathway | CCKR signaling map ST | |||
| Reactome | G alpha (q) signalling events | |||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Spinal Cord Injury | ||||
| 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: 2107). | |||
| 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 800003930) | |||
| REF 3 | SR 140333, a novel, selective, and potent nonpeptide antagonist of the NK1 tachykinin receptor: characterization on the U373MG cell line. J Neurochem. 1994 Apr;62(4):1399-407. | |||
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