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

General Information of Drug (ID: DR3230)
Drug Name
ARN-810
Synonyms .
Indication Breast cancer [ICD11: 2C60-2C6Y] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 446.9 Topological Polar Surface Area 66
Heavy Atom Count 32 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
56941241
CAS Number
1365888-06-7
TTD Drug ID
D00JFE
Formula
C26H20ClFN2O2
Canonical SMILES
CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl
InChI
InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
InChIKey
BURHGPHDEVGCEZ-KJGLQBJMSA-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
GDC-0810 acyl-glucuronide DM019106 N. A. Unclear - Unclear 1 [2]
GDC-0810-N-glucuronide DM019105 N. A. Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013883 ARN-810 GDC-0810-N-glucuronide Unclear - Unclear UGT [2]
MR013884 ARN-810 GDC-0810 acyl-glucuronide Unclear - Unclear UGT [2]
References
1 ClinicalTrials.gov (NCT01823835) A Study of ARN-810 (GDC-0810) in Postmenopausal Women With Locally Advanced or Metastatic Estrogen Receptor Positive Breast Cancer. U.S. National Institutes of Health.
2 GDC-0810 Pharmacokinetics and Transporter-Mediated Drug Interaction Evaluation with an Endogenous Biomarker in the First-in-Human, Dose Escalation Study

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