D28

4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid

Created:	2007-09-28
Last modified:	2011-06-04

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1 entries where D28 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	18

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Chemical Component Summary
Name	4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
Systematic Name (OpenEye OEToolkits)	4-[[4-(4-fluoro-3-methyl-phenyl)-1,3-thiazol-2-yl]amino]-2-hydroxy-benzoic acid
Formula	C₁₇ H₁₃ F N₂ O₃ S
Molecular Weight	344.36
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc3ccc(c1nc(sc1)Nc2cc(O)c(C(=O)O)cc2)cc3C
SMILES	CACTVS	3.341	Cc1cc(ccc1F)c2csc(Nc3ccc(C(O)=O)c(O)c3)n2
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O
Canonical SMILES	CACTVS	3.341	Cc1cc(ccc1F)c2csc(Nc3ccc(C(O)=O)c(O)c3)n2
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)
InChIKey	InChI	1.03	LKZZDHKJFDTYCH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07616
Name	4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
Groups	experimental
Synonyms	4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Hematopoietic prostaglandin D synthase	MPNYKLTYFNMRGRAEIIRYIFAYLDIQYEDHRIEQADWPEIKSTLPFGK...	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