TLF
2-[(3-chloro-2-methylphenyl)amino]benzoic acid
Created: | 2012-08-16 |
Last modified: | 2021-03-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid |
Synonyms | Tolfenamic acid |
Systematic Name (OpenEye OEToolkits) | 2-[(3-chloranyl-2-methyl-phenyl)amino]benzoic acid |
Formula | C14 H12 Cl N O2 |
Molecular Weight | 261.704 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2cccc(Nc1ccccc1C(=O)O)c2C |
SMILES | CACTVS | 3.370 | Cc1c(Cl)cccc1Nc2ccccc2C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(cccc1Cl)Nc2ccccc2C(=O)O |
Canonical SMILES | CACTVS | 3.370 | Cc1c(Cl)cccc1Nc2ccccc2C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(cccc1Cl)Nc2ccccc2C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18) |
InChIKey | InChI | 1.03 | YEZNLOUZAIOMLT-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank ID | DB09216 |
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Name | Tolfenamic acid |
Groups |
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Description | Tolfenamic acid, with the formula N-(2-methyl-3-chlorphenyl)-anthranilic acid, is a nonsteroidal anti-inflammatory agent.[A31824] It was discovered by scientists at Medica Pharmaceutical Company in Finland. It is used in the UK as a treatment for migraine under the name of Clotam.[L1292] In the US, it presents a Status class I by the FDA. By the European Medicine Agency, it was granted in 2016 with the status of orphan for the treatment of supranuclear palsy.[L1291] |
Synonyms |
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Indication | In the information for tolfenamic acid, it is stated that this drug, being an NSAID, is effective in treating the pain associated with the acute attack of migraines in adults.[L1293] |
Categories |
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ATC-Code | M01AG02 |
CAS number | 13710-19-5 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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Prostaglandin G/H synthase 1 | MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG... | unknown | antagonist |
Prostaglandin G/H synthase 2 | MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY... | unknown | antagonist |
Cytochrome P450 3A4 | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI... | unknown | substrate |
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
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL121626 |
PubChem | 610479 |
ChEMBL | CHEMBL121626 |
ChEBI | CHEBI:32243 |
CCDC/CSD | EXAQIE, KAXXAI, UZUZIA, UZUZOG, KAXXAI02, KAXXAI10, XOWKAX, KAXXAI01, XOWKAX01, JUDPEG, KAXXAI09, KAXXAI05, KAXXAI03, KAXXAI08, ETEFIV, KAXXAI11 |
COD | 2108001, 2108002, 4104112, 4512412, 1557485, 4104113, 1557484 |