DR-4004

Ligand id: 8431

Name: DR-4004

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 32.34
Molecular weight 386.24
XLogP 6.89
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
Synonyms
compound 7 [PMID 10052959]
Database Links
ChEMBL Ligand CHEMBL69257
PubChem CID 9843179
Search Google for chemical match using the InChIKey JBQOYPLKTTXLSQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JBQOYPLKTTXLSQ
Search UniChem for chemical match using the InChIKey JBQOYPLKTTXLSQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JBQOYPLKTTXLSQ
Comments
DR-4004 is a selective antagonist of the serotonin 5-HT7 receptor [2].