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
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.
Database Links
GtoPdb PubChem SID 249565911
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)

Product suppliers

Tocris
OICR 9429
Cat. No. 5267