PFI-3

Ligand id: 7915

Name: PFI-3

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 56.67
Molecular weight 321.15
XLogP 3.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-5-yl]prop-2-en-1-one
Synonyms
compound 16 [PMID: 27115555] | IN2080 | PF-06687252 [1] | PFI 3
Database Links
PubChem CID 78243717
RCSB PDB Ligand 5BW
Search Google for chemical match using the InChIKey INAICWLVUAKEPB-QSTFCLMHSA-N
Search Google for chemicals with the same backbone INAICWLVUAKEPB
Search UniChem for chemical match using the InChIKey INAICWLVUAKEPB-QSTFCLMHSA-N
Search UniChem for chemicals with the same backbone INAICWLVUAKEPB
SynPHARM 80802 (in complex with SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 4)
Comments
PFI-3 is a selective chemical probe for SMARCA bromodomains, including SMARCA2, SMARCA4 and PB1(5) (PBRM1) bromodomains. PFI-3 is one of the compounds contained in the Structural Genomics Consortium's Epigenetics Probes Collection. It's discovery, selectivity profile and pharmacological characterization is reported in [1].