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

General Information of Drug (ID: DR3276)
Drug Name
BAY-85-3934
Synonyms Hypoxia-inducible factor prolyl hydroxylase inhibitors (anemia); HIF-PH inhibitors (anemia), Bayer
Indication Anemia [ICD11: 3A00-3A9Z] Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 336.28 Topological Polar Surface Area 110
Heavy Atom Count 24 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
69669724
TTD Drug ID
D01SPD
Formula
C13H13N8NaO2
Canonical SMILES
C1COCCN1C2=NC=NC(=C2)N3C(=C(C=N3)N4C=CN=N4)[O-].[Na+]
InChI
InChI=1S/C13H14N8O2.Na/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19;/h1-2,7-9,22H,3-6H2;/q;+1/p-1
InChIKey
VYRQLKYGGSWDNH-UHFFFAOYSA-M
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
BAY-85-3934 Metabolite M1 DM018933 N. A. Unclear - Unclear 1 [3] , [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011319 BAY-85-3934 BAY-85-3934 Metabolite M1 Unclear - Unclear UGT1A9 ... [3], [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
References
1 URL: 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: 8456).
2 Drug-drug interaction of atazanavir on UGT1A1-mediated glucuronidation of molidustat in human
3 Oxazolidinones as versatile scaffolds in medicinal chemistry

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