EMD-386088

Ligand id: 8428

Name: EMD-386088

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 27.82
Molecular weight 246.09
XLogP 2.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Synonyms
compound 18 [PMID 16055331] | EMD 386088 | EMD386088
Database Links
CAS Registry No. 1171123-46-8
ChEMBL Ligand CHEMBL364005
GtoPdb PubChem SID 252166638
PubChem CID 10131112
Search Google for chemical match using the InChIKey BPPGPYJBCVXILI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BPPGPYJBCVXILI
Search UniChem for chemical match using the InChIKey BPPGPYJBCVXILI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BPPGPYJBCVXILI
Comments
This compound was discovered as the result of a medicinal chemistry programme directed towards the design and synthesis of new tool compounds which are potent and selective 5-HT6 receptor agonists [1]. Such a tool compound could be used to investigate the in vivo functional role of 5-HT6 receptors.