compound 6a [PMID: 18942826]

Ligand id: 8744

Name: compound 6a [PMID: 18942826]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 87.49
Molecular weight 167.02
XLogP 0.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
pyridine-2,4-dicarboxylic acid
Synonyms
lutidinic acid
Comments
Compound 6a inhibits the demethylase activity of lysine (K)-specific demethylase 4E (KDM4E, a.k.a. JMJD2E) and lysine (K)-specific demethylase 4A (KDM4A, a.k.a. JMJD2A) [1].
Database Links
CAS Registry No. 499-80-9 (source: PubChem)
ChEMBL Ligand CHEMBL316034
GtoPdb PubChem SID 252827402
PubChem CID 10365
RCSB PDB Ligand PD2
Search Google for chemical match using the InChIKey MJIVRKPEXXHNJT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MJIVRKPEXXHNJT
Search UniChem for chemical match using the InChIKey MJIVRKPEXXHNJT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MJIVRKPEXXHNJT
SynPHARM 82694 (in complex with lysine demethylase 4A)
82695 (in complex with lysine demethylase 4E)