compound 27 [PMID: 18337095]

Ligand id: 8158

Name: compound 27 [PMID: 18337095]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 92.91
Molecular weight 404.1
XLogP 3.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[3-(2-aminoethyl)-1H-indol-1-yl]-4-(5-chloro-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
Database Links
BindingDB Ligand 50375063
ChEMBL Ligand CHEMBL255607
GtoPdb PubChem SID 249565838
PubChem CID 44453397
Search Google for chemical match using the InChIKey UPHCEKNUUNYTFE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UPHCEKNUUNYTFE
Search UniChem for chemical match using the InChIKey UPHCEKNUUNYTFE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UPHCEKNUUNYTFE
Comments
Compound 27 is a potent inhibitor of calcium/calmodulin-dependent protein kinase II delta (CAMK2D) reported in [1].