Chemical Component Summary

Name(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one
Identifiers(5S)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-4-one
FormulaC15 H19 F N2 O2 S
Molecular Weight310.387
TypeNON-POLYMER
Isomeric SMILESC[C@@H](c1ccc(cc1)F)NC2=NC(=O)[C@](S2)(C)C(C)(C)O
InChIInChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1
InChIKeyHYVZYASDRIAOPU-BJOHPYRUSA-N

Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count2
Bond Count41
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB07017 
Name(5S)-2-{[(1S)-1-(4-Fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-one
Groups experimental
Synonyms(5S)-2-{[(1S)-1-(4-Fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-one

Drug Targets

NameTarget SequencePharmacological ActionActions
Corticosteroid 11-beta-dehydrogenase isozyme 1MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREM...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 CHEMBL455907
PubChem 135566449, 25023710
ChEMBL CHEMBL455907
CCDC/CSD BOQVEL