OF-1

Ligand id: 9523

Name: OF-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 87.33
Molecular weight 439.02
XLogP 2.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-methylbenzene-1-sulfonamide
Synonyms
OF 1
Database Links
PubChem CID 35397514
RCSB PDB Ligand 5XE
Search Google for chemical match using the InChIKey YUNQZQREIHWDQT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YUNQZQREIHWDQT
Search UniChem for chemical match using the InChIKey YUNQZQREIHWDQT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YUNQZQREIHWDQT
SynPHARM 84275 (in complex with bromodomain and PHD finger containing 1)
Comments
OF-1 is a small molecule inhibitor of the bromodomain proteins BRPF1/2/3 and is one of the chemical tools in the Structural Genomics Consortium's Epigenetic Probes Library. BRPF1/2/3 provide the scaffold for the formation of MYST complexes which play essential functions in DNA repair, recombination, replication and activation of transcription.