A-366

Ligand id: 8238

Name: A-366

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 60.08
Molecular weight 329.21
XLogP 2.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indole]-2'-amine
Synonyms
A 366 | A366
Comments
A-366 is a chemical probe for the activity of the histone methyltransferases (HMTs) EHMT2 (G9a) and EHMT1 (GLP), developed by the Structural Genomics Consortium (SGC) in collaboration with Abbvie [1-2].
Click here to link to the SGC's full list of epigenetics probes.
Database Links
BindingDB Ligand 50446376
ChEMBL Ligand CHEMBL3109630
GtoPdb PubChem SID 249565918
PubChem CID 76285486
RCSB PDB Ligand 2OD
Search Google for chemical match using the InChIKey BKCDJTRMYWSXMC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BKCDJTRMYWSXMC
Search UniChem for chemical match using the InChIKey BKCDJTRMYWSXMC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BKCDJTRMYWSXMC

Product suppliers

Tocris
A 366
Cat. No. 5163