molidustat   Click here for help

GtoPdb Ligand ID: 8456

Synonyms: BAY 85-3934 | BAY-853934 | BAY85-3934
PDB Ligand
Compound class: Synthetic organic
Comment: Molidustat is a compound which inhibits hypoxia inducible factor prolyl hydroxylase (HIF-PH) activity. HIF-PH inhibitors are being investigated as novel therapies for anemia, especially anemia caused by chronic kindney disease (CKD). It is hoped that HIF-PH inhibitors will provide a more effective alternative to the use of erythropoetin replacement therapy plus iron supplementation in CKD patients
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 105.71
Molecular weight 314.12
XLogP 0.32
No. Lipinski's rules broken 0
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Canonical SMILES O=c1n([nH]cc1n1ccnn1)c1ncnc(c1)N1CCOCC1
Isomeric SMILES O=c1n([nH]cc1n1ccnn1)c1ncnc(c1)N1CCOCC1
InChI InChI=1S/C13H14N8O2/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/h1-2,7-9,17H,3-6H2
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9655 molidustat
Synonyms Click here for help
BAY 85-3934 | BAY-853934 | BAY85-3934
Database Links Click here for help
BindingDB Ligand 118339
CAS Registry No. 1154028-82-6 (source: PubChem)
GtoPdb PubChem SID 252166666
PubChem CID 59603622
Search Google for chemical match using the InChIKey IJMBOKOTALXLKS-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey IJMBOKOTALXLKS-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey IJMBOKOTALXLKS-UHFFFAOYSA-N