compound 8 [PMID: 24044867]

Ligand id: 8195

Name: compound 8 [PMID: 24044867]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 72.16
Molecular weight 399.16
XLogP 3.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole
Database Links
BindingDB Ligand 50441572
ChEMBL Ligand CHEMBL2436980
PubChem CID 46236221
Search Google for chemical match using the InChIKey UQHKXSZPEUNUDH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UQHKXSZPEUNUDH
Search UniChem for chemical match using the InChIKey UQHKXSZPEUNUDH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UQHKXSZPEUNUDH
Comments
Compound 8 is one of the analogues assessed in a medicinal chemistry study to identify orally bioavailable, brain penetrant inhibitors of mixed lineage kinase 3 (MLK3) [1].