7T1

{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid

Created:	2016-12-05
Last modified:	2017-03-22

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1 entries where 7T1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	17

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Chemical Component Summary
Name	{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid
Systematic Name (OpenEye OEToolkits)	2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid
Formula	C₂₁ H₁₈ F₃ N O₃ S₂
Molecular Weight	453.498
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(C(F)(F)F)ccc1c2sc(c(n2)C)CSc3cc(C)c(cc3)OCC(=O)O
SMILES	CACTVS	3.385	Cc1cc(SCc2sc(nc2C)c3ccc(cc3)C(F)(F)F)ccc1OCC(O)=O
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C
Canonical SMILES	CACTVS	3.385	Cc1cc(SCc2sc(nc2C)c3ccc(cc3)C(F)(F)F)ccc1OCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C
InChI	InChI	1.03	InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
InChIKey	InChI	1.03	YDBLKRPLXZNVNB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB05416
Name	Cardarine
Groups	investigational
Description	Cardarine (GW-501516) is a peroxisome proliferator-activator receptor-delta agonist for the potential treatment of dyslipidemia. Cardarine has been investigated for the treatment of Obesity, Lipid Disorders, and Cardiovascular Disease.
Synonyms	Cardarine
Indication	Investigated for use/treatment in hyperlipidemia.
Categories	Sulfur Compounds
CAS number	317318-70-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Peroxisome proliferator-activated receptor delta	MEQPQEEAPEVREEEEKEEVAEAEGAPELNGGPQHALPSSSYTDLSRSSS...	unknown	agonist
Peroxisome proliferator-activated receptor alpha	MVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFG...	unknown	agonist

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