compound 8 [PMID: 24044867]

Home
Ligands
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

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
GtoPdb PubChem SID	249565875
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].

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].