PBIT

Ligand id: 7026

Name: PBIT

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 45.61
Molecular weight 241.06
XLogP 4.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(4-methylphenyl)-1,2-benzothiazol-3-one
Database Links
CAS Registry No. 2514-30-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1336959
PubChem CID 935415
Search Google for chemical match using the InChIKey KRXMYBAZKJBJAB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KRXMYBAZKJBJAB
Search UniChem for chemical match using the InChIKey KRXMYBAZKJBJAB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KRXMYBAZKJBJAB
Comments
PBIT is a small molecule inhibitor of the histone demethylase subfamily KDM5 [1].