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
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)
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].