compound 27 [PMID: 19854648]

Ligand id: 8168

Name: compound 27 [PMID: 19854648]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 76.24
Molecular weight 403.05
XLogP 3.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{[(2,6-dichlorophenyl)methyl]amino}-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-4-one
Database Links
BindingDB Ligand 50414894
ChEMBL Ligand CHEMBL573760
GtoPdb PubChem SID 249565848
PubChem CID 45375987
Search Google for chemical match using the InChIKey UUDNGLPFGYJJQX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UUDNGLPFGYJJQX
Search UniChem for chemical match using the InChIKey UUDNGLPFGYJJQX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UUDNGLPFGYJJQX
Comments
Compound 27 is the first reported inhibitor of heme-regulated eukaryotic initiation factor 2α kinase activity (aka HRI; gene symbol EIF2AK1) [1].