ZST

3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

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21 entries where ZST is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	21

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Chemical Component Summary
Name	3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-yl]ethanoic acid
Formula	C₁₉ H₁₂ F₃ N₃ O₃ S
Molecular Weight	419.377
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)c1cc2nc(sc2cc1)CN3N=C(c4ccccc4C3=O)CC(=O)O
SMILES	CACTVS	3.341	OC(=O)CC1=NN(Cc2sc3ccc(cc3n2)C(F)(F)F)C(=O)c4ccccc14
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CC1=NN(Cc2sc3ccc(cc3n2)C(F)(F)F)C(=O)c4ccccc14
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O
InChI	InChI	1.03	InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
InChIKey	InChI	1.03	BCSVCWVQNOXFGL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08772
Name	Zopolrestat
Groups	experimental
Synonyms	Zopolrestatum Zopolrestat
Categories	Aldehyde Reductase, antagonists & inhibitors Aldose Reductase Inhibitors Blood Glucose Lowering Agents Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Pyridazines Thiazoles
CAS number	110703-94-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Aldo-keto reductase family 1 member B10	MATFVELSTKAKMPIVGLGTWKSPLGKVKEAVKVAIDAGYRHIDCAYVYQ...	unknown
Aldose reductase	MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQ...	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