I-CBP112

Ligand id: 8236

Name: I-CBP112

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 60.47
Molecular weight 468.26
XLogP 2.95
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[7-(3,4-dimethoxyphenyl)-9-{[(3S)-1-methylpiperidin-3-yl]methoxy}-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]propan-1-one
Database Links
PubChem CID 90488984
Search Google for chemical match using the InChIKey YKNAKDFZAWQEEO-IBGZPJMESA-N
Search Google for chemicals with the same backbone YKNAKDFZAWQEEO
Search UniChem for chemical match using the InChIKey YKNAKDFZAWQEEO-IBGZPJMESA-N
Search UniChem for chemicals with the same backbone YKNAKDFZAWQEEO
Comments
I-CBP112 is an inhibitor of the bromodomain-containing proteins CREB binding protein (CREBBP) and E1A binding protein p300 (EP300) and was developed by the Structural Genomics Consortium (SGC) [3]. The bromodomains facilitate binding of these proteins to acetylated lysine residues on histones and other proteins [4], interactions which underlie the function of these two transctiptional co-activators in the control of DNA replication and repair, cell growth, transformation, and development [1-2].
Click here to link to the SGC's full list of epigenetics probes.