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
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
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.