Therapeutic Targets Database
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TTD Drug ID: DCL000800

Drug Information
NameEzlopitant
SynonymsCHEMBL515966; AC1Q573W; CID6426143; 147116-64-1; CHEBI:589439; AR-1A3447; D04122; Ezlopitant (USAN/INN); 2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine; AC1L4NQ6; (2S,3S)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine; KST-1A2038; L001573; AC1O519L; CID188927; Ezlopitant; (2s,3s)-2-(diphenylmethyl)-n-(5-isopropyl-2-methoxybenzyl)quinuclidin-3-amine
CompanyPfizer
IndicationEmesis, irritable bowel syndrome
[ICD9: 564.1, 787   ICD10: K58, R11]
Suspended in Phase II in Pfizer 2010 Pipeline    [1]
Structure

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InChI1S/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
InChIKeyXPNMCDYOYIKVGB-CONSDPRKSA-N
Canonical SMILESCC(C)C1=CC(=C(C=C1)OC)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3    
Isomeric SMILESCC(C)C1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=
C5
CAS NumberCAS 147116-64-1
PubChem Compound IDCID 188927.
PubChem Substance IDSID 766429.
TargetSubstance-P receptor (NK-1 receptor)Antagonist[1]
Ref 1Emerging drugs for chemotherapy-induced emesis. Expert Opin Emerg Drugs. 2006 Mar;11(1):137-51. To Reference



 

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