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

General Information of Drug (ID: DR3143)
Drug Name
SR13668
Synonyms .
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 430.5 Topological Polar Surface Area 93.4
Heavy Atom Count 32 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
9845566
CAS Number
637774-61-9
TTD Drug ID
D03AVS
Formula
C25H22N2O5
Canonical SMILES
CCOC(=O)C1=CC2=C(C=C1)NC3=C(C4=C(C=C23)C5=C(N4)C=CC(=C5)C(=O)OCC)OC
InChI
InChI=1S/C25H22N2O5/c1-4-31-24(28)13-6-8-19-15(10-13)17-12-18-16-11-14(25(29)32-5-2)7-9-20(16)27-22(18)23(30-3)21(17)26-19/h6-12,26-27H,4-5H2,1-3H3
InChIKey
BMTPVPNVQOYGAP-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
SR13668 Metabolite M1 DM019398 N. A. Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011963 SR13668 SR13668 Metabolite M1 Unclear - Unclear CYP [2]
References
1 ClinicalTrials.gov (NCT00896207) Studying Different Formulations of SR13668 in Healthy Volunteers. U.S. National Institutes of Health.
2 Improved oral bioavailability in rats of SR13668, a novel anti-cancer agent

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