PF-04457845

Ligand id: 6694

Name: PF-04457845

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 80.24
Molecular weight 455.16
XLogP 5.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-pyridazin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxamide
Synonyms
compound 23 [PMID: 21666860] | PF04457845
Database Links
CAS Registry No. 1020315-31-4 (source: PubChem)
ChEMBL Ligand CHEMBL1651534
PubChem CID 24771824
Search Google for chemical match using the InChIKey BATCTBJIJJEPHM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BATCTBJIJJEPHM
Search UniChem for chemical match using the InChIKey BATCTBJIJJEPHM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BATCTBJIJJEPHM
Wikipedia PF-04457845
Comments
PF-04457845 is a highly selective, irreversible, covalent inactivator of fatty acid amide hydrolase (FAAH) [2], that is being investigated in clinical trials. It is one example from a dense analogoue series from patents (see 'Similar Compounds' in PubChem).