CCT129957

Ligand id: 8820

Name: CCT129957

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 88.03
Molecular weight 309.11
XLogP 6.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide
Database Links
ChEMBL Ligand CHEMBL475789
PubChem CID 2823659
Search Google for chemical match using the InChIKey VXDJRTJBOJFUOC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VXDJRTJBOJFUOC
Search UniChem for chemical match using the InChIKey VXDJRTJBOJFUOC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VXDJRTJBOJFUOC
Comments
CCT129957 is one of the hit PLCγ2 inhibitors verified experimentally, following a virtual HTS effort [1].