SLO

2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid

Created:	2011-05-19
Last modified:	2021-03-01

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1 entries where SLO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	12

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Chemical Component Summary
Name	2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid
Synonyms	sulindac sulfone
Systematic Name (OpenEye OEToolkits)	2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid
Formula	C₂₀ H₁₇ F O₄ S
Molecular Weight	372.41
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(c1ccc(cc1)/C=C3\c2ccc(F)cc2C(=C3C)CC(=O)O)C
SMILES	CACTVS	3.370	CC1=C(CC(O)=O)c2cc(F)ccc2C1=Cc3ccc(cc3)[S](C)(=O)=O
SMILES	OpenEye OEToolkits	1.7.2	CC1=C(c2cc(ccc2C1=Cc3ccc(cc3)S(=O)(=O)C)F)CC(=O)O
Canonical SMILES	CACTVS	3.370	CC\1=C(CC(O)=O)c2cc(F)ccc2C\1=C\c3ccc(cc3)[S](C)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)S(=O)(=O)C)F)CC(=O)O
InChI	InChI	1.03	InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
InChIKey	InChI	1.03	MVGSNCBCUWPVDA-MFOYZWKCSA-N

Drug Info: DrugBank

DrugBank ID	DB06246
Name	Exisulind
Groups	investigational
Synonyms	cis-5-Fluoro-2-methyl-1-(p-methylsulfonylbenzylidenyl)indene-3-acetic acid Exisulind Sulindac sulfone 5-Fluoro-2-methyl-1-((Z)-p-(methylsulfonyl)benzylidene)indene-3-acetic acid
Indication	Investigated for use/treatment in adenomatous polyposis coli, lung cancer, prostate cancer, colon polyps, Barrett's esophagus disease, and pediatric indications.
Categories	Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anticarcinogenic Agents Antineoplastic Agents Antirheumatic Agents Compounds used in a research, industrial, or household setting Cyclooxygenase Inhibitors Enzyme Inhibitors Indenes Peripheral Nervous System Agents Protective Agents Sensory System Agents
CAS number	59973-80-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glutathione S-transferase P	MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLY...	unknown	inhibitor
Aldose reductase	MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQ...	unknown	inhibitor
Aldo-keto reductase family 1 member B10	MATFVELSTKAKMPIVGLGTWKSPLGKVKEAVKVAIDAGYRHIDCAYVYQ...	unknown	inhibitor
cAMP-specific 3',5'-cyclic phosphodiesterase 4D	MEAEGSSAPARAGSGEGSDSAGGATLKAPKHLWRHEQHHQYPLRQPQFRL...	unknown
cAMP-specific 3',5'-cyclic phosphodiesterase 4C	MENLGVGEGAEACSRLSRSRGRHSMTRAPKHLWRQPRRPIRIQQRFYSDP...	unknown
cGMP-specific 3',5'-cyclic phosphodiesterase	MERAGPSFGQQRQQQQPQQQKQQQRDQDSVEAWLDDHWDFTFSYFVRKAT...	unknown
cGMP-dependent 3',5'-cyclic phosphodiesterase	MGQACGHSILCRSQQYPAARPAEPRGQQVFLKPDEPPPPPQPCADSLQDA...	unknown
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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