compound 7 [PMID: 24825313]

Ligand id: 7531

Name: compound 7 [PMID: 24825313]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 91.42
Molecular weight 380.17
XLogP 3.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(4-Hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxopentanamide
Database Links
GtoPdb PubChem SID 187051832
PubChem CID 75124306
Search Google for chemical match using the InChIKey BPMOENJVOOOATO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BPMOENJVOOOATO
Search UniChem for chemical match using the InChIKey BPMOENJVOOOATO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BPMOENJVOOOATO
Comments
This is an investigational Alzheimer's disease (AD) compound. Chemically, it is a hybrid of curcumin and melatonin [1], two compounds which have previously shown some benefit in AD research. The hybrid molecule is brain-penetrant. In in vitro experiments, compound 7 exhibits significant neuroprotective activity in AD model cells [1]. The ChemSpider ID is 30922431.