BRK

{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-METHOXYPHENYL)METHANONE

Created: 2006-07-26
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count44
Aromatic Bond Count17
2D diagram of BRK
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Chemical Component Summary

Name{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-METHOXYPHENYL)METHANONE
Systematic Name (OpenEye OEToolkits)[(2Z)-4-amino-2-(4-methoxyphenyl)imino-3H-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
FormulaC18 H17 N3 O3 S
Molecular Weight355.411
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(C=2S/C(=N\c1ccc(OC)cc1)NC=2N)c3ccc(OC)cc3
SMILESCACTVS3.341COc1ccc(cc1)N=C2NC(=C(S2)C(=O)c3ccc(OC)cc3)N
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1)C(=O)C2=C(NC(=Nc3ccc(cc3)OC)S2)N
Canonical SMILESCACTVS3.341 COc1ccc(cc1)N=C2NC(=C(S2)C(=O)c3ccc(OC)cc3)N
Canonical SMILESOpenEye OEToolkits1.5.0 COc1ccc(cc1)C(=O)C2=C(N/C(=N/c3ccc(cc3)OC)/S2)N
InChIInChI1.03 InChI=1S/C18H17N3O3S/c1-23-13-7-3-11(4-8-13)15(22)16-17(19)21-18(25-16)20-12-5-9-14(24-2)10-6-12/h3-10H,19H2,1-2H3,(H,20,21)
InChIKeyInChI1.03 XQKUGFIWKSKCDL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07488 
Name{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone
Groups experimental
Synonyms{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone
CAS number727685-49-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Casein kinase I isoform gamma-3MENKKKDKDKSDDRMARPSGRSGHNTRGTGSSSSGVLMVGPNFRVGKKIG...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
PubChem 399618
ChEMBL CHEMBL563377