Drug Information

Drug General Information
Drug ID
D01TBN
Former ID
DCL000800
Drug Name
Ezlopitant
Synonyms
Ezlopitant (USAN/INN); (2S,3S)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine; (2s,3s)-2-(diphenylmethyl)-n-(5-isopropyl-2-methoxybenzyl)quinuclidin-3-amine; 2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Drug Type
Small molecular drug
Indication Emesis; Irritable bowel syndrome [ICD9: 564.1, 787; ICD10:K58, R11] Discontinued in Phase 2 [536188], [541086]
Company
Pfizer
Structure
Download
2D MOL

3D MOL
Formula
C31H38N2O
InChI
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
InChIKey
XPNMCDYOYIKVGB-CONSDPRKSA-N
CAS Number
CAS 147116-64-1
PubChem Compound ID
188927
PubChem Substance ID
14833513, 14931234, 16943245, 33510538, 50151433, 57396200, 103066084, 103080324, 103623465, 104111218, 113444847, 117534974, 129722546, 134340704, 135165523, 135958003, 142437557, 178102377, 179680024, 198946391, 226713777, 234513239
Target and Pathway
Target(s) Substance-P receptor Target Info Antagonist [536188]
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
Ref 536188Emerging drugs for chemotherapy-induced emesis. Expert Opin Emerg Drugs. 2006 Mar;11(1):137-51.
Ref 541086(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 536188Emerging drugs for chemotherapy-induced emesis. Expert Opin Emerg Drugs. 2006 Mar;11(1):137-51.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.