Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D01TBN
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| Former ID |
DCL000800
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| Drug Name |
Ezlopitant
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| Synonyms |
UNII-3L098A8MPY; 147116-64-1; CJ-11974; CHEMBL515966; 3L098A8MPY; Ezlopitant [USAN:INN]; Ezlopitant (USAN/INN); (2s,3s)-2-(diphenylmethyl)-n-(5-isopropyl-2-methoxybenzyl)quinuclidin-3-amine; AC1L4NQ6; SCHEMBL383011; AC1Q573W; SCHEMBL9069731; GTPL5751; BDBM50262567; CJ11974; (2S,3S)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[222]octan-3-amine; CJ 11974; CJ-11, 974; D04122; 2beta-(Diphenylmethyl)-3beta-(2-methoxy-5-isopropylbenzylamino)-1beta,4beta-ethanopiperidine; Ezlopitant (USAN/INN); 2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[222]octan-3-amine; CJ 11,974-01
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| Drug Type |
Small molecular drug
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| Indication | Irritable bowel syndrome [ICD-11: DD91.0; ICD-10: K55-K64, K58] | Discontinued in Phase 2 | [1], [2] | |
| Vomiting [ICD-11: MD90; ICD-10: R11] | Discontinued in Phase 2 | [1], [2] | ||
| Pain [ICD-11: MG30-MG3Z] | Investigative | [3] | ||
| Company |
Pfizer
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| Structure |
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Download2D MOL |
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| Formula |
C31H38N2O
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| Canonical SMILES |
CC(C)C1=CC(=C(C=C1)OC)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3
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| InChI |
1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1
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| InChIKey |
XPNMCDYOYIKVGB-CONSDPRKSA-N
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| CAS Number |
CAS 147116-64-1
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Substance-P receptor (TACR1) | Target Info | Antagonist | [2], [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: 5751). | |||
| REF 2 | Emerging drugs for chemotherapy-induced emesis. Expert Opin Emerg Drugs. 2006 Mar;11(1):137-51. | |||
| REF 3 | Targeting pain-depressed behaviors in preclinical assays of pain and analgesia: drug effects on acetic acid-depressed locomotor activity in ICR mice. Life Sci. 2009 Aug 12;85(7-8):309-15. | |||
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