PFI-1

Ligand id: 7523

Name: PFI-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 96.12
Molecular weight 347.09
XLogP 1.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
Synonyms
HY-16586 | PF-6405761 | QCR-192
Database Links
CAS Registry No. 1403764-72-6
ChEMBL Ligand CHEMBL2179387
PubChem CID 71271629
RCSB PDB Ligand 0NS
Search Google for chemical match using the InChIKey TXZPMHLMPKIUGK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TXZPMHLMPKIUGK
Search UniChem for chemical match using the InChIKey TXZPMHLMPKIUGK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TXZPMHLMPKIUGK
SynPHARM 79925 (in complex with bromodomain containing 4)
Comments
This compound is an inhibitor of the bromodomain and extra-terminal (BET) proteins, BRD2-4 [1]. This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.