Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1779)
Drug Name
GW-766994
Synonyms SB328437; AC1NSJZ5; methyl (2S)-2-(naphthalene-2-carbonylamino)-3-(4-nitrophenyl)propanoate
Indication Asthma [ICD11: CA23] Discontinued [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 378.4 Topological Polar Surface Area 101
Heavy Atom Count 28 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
5311092
PubChem SID
7979258 ; 11056263 ; 39340812 ; 51954707 ; 114155241 ; 178100509 ; 179314476
TTD Drug ID
D0N2FI
Formula
C21H18N2O5
Canonical SMILES
COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC3=CC=CC=C3C=C2
InChI
1S/C21H18N2O5/c1-28-21(25)19(12-14-6-10-18(11-7-14)23(26)27)22-20(24)17-9-8-15-4-2-3-5-16(15)13-17/h2-11,13,19H,12H2,1H3,(H,22,24)/t19-/m0/s1
InChIKey
KOLBWAVLYDRUOC-IBGZPJMESA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
GW-766994 M2 PDM007670 N. A. Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Methanol DM002019
887
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800019095)
2 GW766994 CCR3 receptor antagonist.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.