A-196

Ligand id: 8949

Name: A-196

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 50.7
Molecular weight 358.08
XLogP 4.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine
Database Links
GtoPdb PubChem SID 310264730
PubChem CID 117072548
RCSB PDB Ligand 539
Search Google for chemical match using the InChIKey ABGOSOMRWSYAOB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ABGOSOMRWSYAOB
Search UniChem for chemical match using the InChIKey ABGOSOMRWSYAOB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ABGOSOMRWSYAOB
Comments
A-196 is a selective chemical probe for the methyltransferases suppressor of variegation 4-20 homologs 1 and 2 (SUV420H1 and SUV420H2), and is one of the compounds available from the Structural Genomics Consortium's epigenetic probes set. It was developed in collaboration with AbbVie.
SUV420H1 and SUV420H2 are responsible for di- and tri-methylating lysine 20 of histone H4 (H4K20).