PF-04905428

Ligand id: 9062

Name: PF-04905428

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 119.41
Molecular weight 480.18
XLogP 1.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2R)-2-hydroxy-3-methoxypropyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide
Synonyms
CE-224,535 | CE-224535 | compound 3 [PMID: 21782426] | compound 33 [PMID: 21565499]
Database Links
BindingDB Ligand 0352039
CAS Registry No. 724424-43-5 (source: PubChem)
ChEMBL Ligand CHEMBL1823817
PubChem CID 11547499
Search Google for chemical match using the InChIKey FUCKCIVGBCBZNP-MRXNPFEDSA-N
Search Google for chemicals with the same backbone FUCKCIVGBCBZNP
Search UniChem for chemical match using the InChIKey FUCKCIVGBCBZNP-MRXNPFEDSA-N
Search UniChem for chemicals with the same backbone FUCKCIVGBCBZNP
Comments
PF-04905428 is an investigational purinergic receptor 2 (P2X7) antagonist [2,4], with potential antiinflammatory action in various conditions such as arthritis, allergies, asthma, COPD, autoimmune diseases and other disorders.. PF-04905428 is one of the compounds claimed in patent US6974812 [1].