PAK-104P

Ligand id: 8776

Name: PAK-104P

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 134.15
Molecular weight 698.29
XLogP 9.27
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[di(phenyl)methyl]piperazin-1-yl]ethyl 5-[(4R,6R)-4,6-dimethyl-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate
Synonyms
PAK104P
Database Links
ChEMBL Ligand CHEMBL2074650
PubChem CID 21226959
Search Google for chemical match using the InChIKey PFKHLXIJSNUZDT-KAYWLYCHSA-N
Search Google for chemicals with the same backbone PFKHLXIJSNUZDT
Search UniChem for chemical match using the InChIKey PFKHLXIJSNUZDT-KAYWLYCHSA-N
Search UniChem for chemicals with the same backbone PFKHLXIJSNUZDT
Comments
PAK-104P is reported to inhibit the activity of the canalicular multispecific organic anion transporter 1 (cMOAT, ABCC2) [1].