darapladib

Ligand id: 6696

Name: darapladib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 15
Topological polar surface area 81.19
Molecular weight 667.27
XLogP 10.29
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(2-diethylaminoethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[e]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
International Nonproprietary Names
INN number INN
8703 darapladib
Synonyms
SB 480848 | SB-480848
Database Links
CAS Registry No. 356057-34-6 (source: PubChem)
ChEMBL Ligand CHEMBL204021
PubChem CID 9939609
RCSB PDB Ligand 5HV
Search Google for chemical match using the InChIKey WDPFJWLDPVQCAJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WDPFJWLDPVQCAJ
Search PubMed clinical trials darapladib
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Search UniChem for chemical match using the InChIKey WDPFJWLDPVQCAJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WDPFJWLDPVQCAJ
SynPHARM 78680 (in complex with PLA2-G7)
Wikipedia Darapladib
Comments
Darapladib and analogues such as rilapladib are clinical drug candidates with potential to reduce the risk of atherosclerosis and associated clinical sequelae [2].