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

General Information of Drug (ID: DR3147)
Drug Name
AZD1979
Synonyms .
Indication Obesity [ICD11: 5B80-5B81] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 462.5 Topological Polar Surface Area 90.2
Heavy Atom Count 34 Rotatable Bond Count 7
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
49801838
ChEBI ID
CHEBI:139154
CAS Number
1254035-84-1
TTD Drug ID
D0A3CL
Formula
C25H26N4O5
Canonical SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC6(C5)COC6
InChI
InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3
InChIKey
BKKPIQPFRAPEAY-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
AZD1979 Metabolite M12 DM019863 N. A. Unclear - Unclear 1 [2]
AZD1979 Metabolite M9 DM016508
117713900
Unclear - Unclear 2 [2]
AZD1979 Metabolite M10 DM015103
95127
Unclear - Unclear 3 [2]
AZD1979 Metabolite M14 DM016229
60023406
Unclear - Unclear 4 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012607 AZD1979 AZD1979 Metabolite M12 Unclear - Unclear Unclear [2]
MR012608 AZD1979 Metabolite M12 AZD1979 Metabolite M9 Unclear - Unclear Unclear [2]
MR012609 AZD1979 Metabolite M9 AZD1979 Metabolite M10 Unclear - Unclear Unclear [2]
MR012610 AZD1979 Metabolite M10 AZD1979 Metabolite M14 Unclear - Unclear Unclear [2]
References
1 ClinicalTrials.gov (NCT02072993) A First Time in Man Study to Assess the Safety, Tolerability and Pharmacokinetics of AZD1979 in Healthy Males. U.S. National Institutes of Health.
2 A sensitive assay for the hepatic N-demethylation of chlorcyclizine in vitro

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