Details of the Drug

General Information of Drug (ID: DM7NHLC)

Drug Name

BAY-85-3934

Synonyms

Hypoxia-inducible factor prolyl hydroxylase inhibitors (anemia); HIF-PH inhibitors (anemia), Bayer

Indication

Disease Entry	ICD 11	Status	REF
Anemia	3A00-3A9Z	Phase 2	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

336.28

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

8

Chemical Identifiers

Formula: C13H13N8NaO2
IUPAC Name: sodium;2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)pyrazol-3-olate
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

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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	Mimicking hypoxia to treat anemia: HIF-stabilizer BAY 85-3934 (Molidustat) stimulates erythropoietin production without hypertensive effects. PLoS One. 2014 Nov 13;9(11):e111838.