JBF

3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid

Created:	2021-05-12
Last modified:	2022-01-19

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	17

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Chemical Component Summary
Name	3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
Systematic Name (OpenEye OEToolkits)	3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
Formula	C₁₅ H₉ F N₂ O₃
Molecular Weight	284.242
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cccc(c1)c2noc(n2)c3ccccc3F
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F
Canonical SMILES	CACTVS	3.385	OC(=O)c1cccc(c1)c2noc(n2)c3ccccc3F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F
InChI	InChI	1.03	InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)
InChIKey	InChI	1.03	OOUGLTULBSNHNF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB05016
Name	Ataluren
Groups	approved investigational
Description	Ataluren is a novel, orally administered drug that targets nonsense mutations. Ataluren is approved for use by the European Medicines Agency to treat Duchenne Muscular Dystrophy in patients aged 5 years and older who are able to walk. More specifically, ataluren is used in the small group of patients whose disease is caused by a specific genetic defect (called a ‘nonsense mutation’) in the dystrophin gene. This drug does not yet have approval by the US Food and Drug Administration or by Health Canada for any indications.
Synonyms	3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid Ataluren
Brand Names	Translarna
Indication	Ataluren is approved for use by the European Medicines Agency to treat Duchenne Muscular Dystrophy in patients aged 5 years and older who are able to walk. More specifically, ataluren is used in the small group of patients whose disease is caused by a specific genetic defect (called a ‘nonsense mutation’) in the dystrophin gene.
Categories	Musculo-Skeletal System OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OATP1B3 inhibitors Oxazoles UGT1A9 Substrates
ATC-Code	M09AX03
CAS number	775304-57-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
UDP-glucuronosyltransferase 1-9	MACTGWTSPLPLCVCLLLTCGFAEAGKLLVVPMDGSHWFTMRSVVEKLIL...	unknown	substrate
Solute carrier family 22 member 6	MAFNDLLQQVGGVGRFQQIQVTLVVLPLLLMASHNTLQNFTAAIPTHHCR...	unknown	inhibitor
Solute carrier family 22 member 8	MTFSEILDRVGSMGHFQFLHVAILGLPILNMANHNLLQIFTAATPVHHCR...	unknown	inhibitor
Solute carrier organic anion transporter family member 1B3	MDQHQHLNKTAESASSEKKKTRRCNGFKMFLAALSFSYIAKALGGIIMKI...	unknown	inhibitor

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