5HV

N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide


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Chemical Component Summary

NameN-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide
SynonymsDarapladib
IdentifiersN-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide
FormulaC36 H38 F4 N4 O2 S
Molecular Weight666.771
TypeNON-POLYMER
Isomeric SMILESCCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCc5ccc(cc5)F
InChIInChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
InChIKeyWDPFJWLDPVQCAJ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count85
Chiral Atom Count0
Bond Count89
Aromatic Bond Count18

Drug Info: DrugBank

DrugBank IDDB06311 
NameDarapladib
Groups investigational
SynonymsDarapladib
IndicationInvestigated for use/treatment in atherosclerosis.
Categories
  • Amines
  • Anions
  • Benzene Derivatives
  • Electrolytes
  • Enzyme Inhibitors
CAS number356057-34-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Cytosolic phospholipase A2MSFIDPYQHIIVEHQYSHKFTVVVLRATKVTKGAFGDMLDTPDPYVELFI...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL204021
PubChem 9939609
ChEMBL CHEMBL204021