Chemical Component Summary

Name[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE
Identifiers[(4R)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-sulfanylidene-3,4-dihydropyrimidin-5-yl]-phenyl-methanone
FormulaC19 H18 N2 O2 S
Molecular Weight338.423
TypeNON-POLYMER
Isomeric SMILESCC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)C(=O)c3ccccc3
InChIInChI=1S/C19H18N2O2S/c1-12-16(18(23)13-7-4-3-5-8-13)17(20-19(24)21(12)2)14-9-6-10-15(22)11-14/h3-11,17,22H,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeyJGBBILLMZPWNFU-QGZVFWFLSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count44
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB08198 
Name[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE
Groups experimental
Synonyms[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE

Drug Targets

NameTarget SequencePharmacological ActionActions
Kinesin-like protein KIF11MASQPNSSAKKKEEKGKNIQVVVRCRPFNLAERKASAHSIVECDPVRKEV...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 CHEMBL522806
PubChem 15942673
ChEMBL CHEMBL522806