NFL

2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID

Created:	2004-05-26
Last modified:	2021-03-01

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4 entries where NFL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

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Chemical Component Summary
Name	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID
Synonyms	2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid
Formula	C₁₃ H₉ F₃ N₂ O₂
Molecular Weight	282.218
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O
SMILES	CACTVS	3.341	OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F
Canonical SMILES	CACTVS	3.341	OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKey	InChI	1.03	JZFPYUNJRRFVQU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04552
Name	Niflumic acid
Groups	experimental
Description	Niflumic acid is an analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.
Synonyms	NFA Acidum niflumicum Niflumic acid Acido niflumico Acide niflumique
Indication	Used in the treatment of rheumatoid arthritis.
Categories	Acids, Carbocyclic Agents causing hyperkalemia Agents that produce hypertension Aminobenzoates Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antiinflammatory Preparations, Non-Steroids for Topical Use Antirheumatic Agents Benzene Derivatives Benzoates Cyclooxygenase Inhibitors Enzyme Inhibitors Fenamates Musculo-Skeletal System Nephrotoxic agents Nicotinic Acids Niflumic Acid and Prodrugs ortho-Aminobenzoates Peripheral Nervous System Agents Pyridines Selective Cyclooxygenase 2 Inhibitors (NSAIDs) Sensory System Agents Topical Products for Joint and Muscular Pain UGT1A9 Inhibitors
ATC-Code	M02AA17 M01AX02
CAS number	4394-00-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Phospholipase A2	MKLLVLAVLLTVAAADSGISPRAVWQFRKMIKCVIPGSDPFLEYNNYGCY...	unknown	inhibitor
Prostaglandin G/H synthase 2	MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY...	unknown	inhibitor
Chloride channel protein ClC-Ka	MEELVGLREGFSGDPVTLQELWGPCPHIRRAIQGGLEWLKQKVFRLGEDW...	unknown	inducer
Prostaglandin G/H synthase 1	MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...	unknown
Cytosolic phospholipase A2	MSFIDPYQHIIVEHQYSHKFTVVVLRATKVTKGAFGDMLDTPDPYVELFI...	unknown
UDP-glucuronosyltransferase 1-9	MACTGWTSPLPLCVCLLLTCGFAEAGKLLVVPMDGSHWFTMRSVVEKLIL...	unknown
UDP-glucuronosyltransferase 1-9	MACTGWTSPLPLCVCLLLTCGFAEAGKLLVVPMDGSHWFTMRSVVEKLIL...	unknown	inhibitor
Monocarboxylate transporter 2	MPPMPSAPPVHPPPDGGWGWIVVGAAFISIGFSYAFPKAVTVFFKEIQQI...	unknown	inhibitor
Monocarboxylate transporter 1	MPPAVGGPVGYTPPDGGWGWAVVIGAFISIGFSYAFPKSITVFFKEIEGI...	unknown	inhibitor
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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