compound 6ee [PMID: 22364528]

Ligand id: 8796

Name: compound 6ee [PMID: 22364528]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 126.56
Molecular weight 587.25
XLogP 5.34
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-[(3-methylpyridin-2-yl)methyl]-1-(4-oxo-1H-pyrimidin-6-yl)-3-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
Database Links
ChEMBL Ligand CHEMBL2041169
GtoPdb PubChem SID 252827454
PubChem CID 49849231
Search Google for chemical match using the InChIKey COBUMZLYZWRZDS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone COBUMZLYZWRZDS
Search UniChem for chemical match using the InChIKey COBUMZLYZWRZDS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone COBUMZLYZWRZDS
Comments
Compound 6ee is reported from a SAR exploration to identify pan-hypoxia-Inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) inhibitors with drug-like properties as potential anti-anemia therapeutics [1].