KDOAM25

Ligand id: 8576

Name: KDOAM25

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 91.56
Molecular weight 307.2
XLogP -0.81
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide
Synonyms
KDOAM-25
Database Links
PubChem CID 91810435
RCSB PDB Ligand LQT
Search Google for chemical match using the InChIKey PNFMVADNCOGWME-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PNFMVADNCOGWME
Search UniChem for chemical match using the InChIKey PNFMVADNCOGWME-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PNFMVADNCOGWME
Comments
KDOAM25 is a small molecule tool compound useful for studying the function of the KDM5 family of demethylase proteins. KDM5 proteins remove H3K4me3 and H3K4me2 histone marks and is therefore central to regulating the histone code. KDM5 family members have been suggested as potential oncogenes [2,5], with KDM5C also implicated in autism [1] and X-linked intellectual disability [3].
This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.