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
PubChem CID
69669724
ChEBI ID
CHEMBL3931782
TTD ID
D01SPD
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
HIF-prolyl hydroxylase 1 (HPH-1) TTMHFRY EGLN2_HUMAN Inhibitor [2]
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.