OICR-9429

Ligand id: 8231

Name: OICR-9429

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 77.15
Molecular weight 555.25
XLogP 4.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-(4-methylpiperazin-1-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
Database Links
PubChem CID 91623360
RCSB PDB Ligand 35Q
Search Google for chemical match using the InChIKey DJOVLOYCGXNVPI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DJOVLOYCGXNVPI
Search UniChem for chemical match using the InChIKey DJOVLOYCGXNVPI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DJOVLOYCGXNVPI
SynPHARM 81844 (in complex with WD repeat domain 5)
Comments
OICR-9429 was developed in a collaboration between the SGC (Structural Genomics Consortium) and The Drug Discovery Program at the Ontario Institute for Cancer Research (OICR). It can be used as a chemical probe for WDR5 activity, WDR5 being a component of several chromatin regulatory complexes including the MLL1 (mixed lineage leukemia 1) complex. OICR-9429 antagonises the interaction between WDR5 and MLL or Histone 3 binding domains. Click here to link to the SGC's full list of epigenetics probes.