Chemical Component Summary

Name5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE
Identifiers5-fluoro-1-[4-[(1R)-4-phenyl-3,6-dihydro-2H-pyridin-1-yl]butyl]quinazoline-2,4-dione
FormulaC23 H24 F N3 O2
Molecular Weight393.454
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)C2=CC[N@@](CC2)CCCCN3c4cccc(c4C(=O)NC3=O)F
InChIInChI=1S/C23H24FN3O2/c24-19-9-6-10-20-21(19)22(28)25-23(29)27(20)14-5-4-13-26-15-11-18(12-16-26)17-7-2-1-3-8-17/h1-3,6-11H,4-5,12-16H2,(H,25,28,29)
InChIKeyPNPFDRCIGCUCMN-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count1
Bond Count56
Aromatic Bond Count17

Drug Info: DrugBank

DrugBank IDDB07787 
Name5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE
Groups experimental
Synonyms5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE

Drug Targets

NameTarget SequencePharmacological ActionActions
Poly [ADP-ribose] polymerase 1MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPH...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 CHEMBL361054
PubChem 448890
ChEMBL CHEMBL361054