| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 18 | Yes |
Popular Name: Mefenamic acid Mefenamic acid
2-((2,3-Dimethylphenyl)amino)benzoic acid
2-(2,3-Dimethylanilino)benzoic acid
2-(2,3-dimethylphenylamino)benzoic acid
2-Diphenylaminecarboxylic acid, 2',3'-dimethyl-
2-[(2,3-dimethylphenyl)amino]benzoic acid
61-68-7; C02168; Mefenamic acid
61-68-7; CPD000058188; Mefenamic Acid; SAM002554908
61-68-7; D00151; Mefenamic acid (JP16/USP/INN); Ponstel (TN)
61-68-7; Mefenamic acid; Prestwick_506
Acide mefenamique [INN-French]
acide mefenamique; acido mefenamico; acidum mefenamicum; mefenamic acid
Acido mefenamico [INN-Spanish]
Acidum mefenamicum [INN-Latin]
Anthranilic acid, N-(2,3-xylyl)-
Anthranilic acid, N-2,3-xylyl-
Antigen Brand of Mefenamic Acid
Apotex Brand of Mefenamic Acid
Ashbourne Brand of Mefenamic Acid
Benzoic acid, 2-((2,3-dimethylphenyl)amino)-
Benzoic acid, 2-(2,3-dimethylphenyl)amino-
Benzoic acid, 2-[(2,3-dimethylphenyl)amino]-
Chemidex Brand of Mefenamic Acid
Clonmel Brand of Mefenamic Acid
CPD000058188; Mefenamic acid; SAM002554908
Farmasierra Brand of Mefenamic Acid
First Horizon Brand of Mefenamic Acid
Godecke Brand of Mefenamic Acid
InChI=1/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18
Mefenamic acid [USAN:INN:BAN:JAN]
N-(2,3-Dimethylphenyl)anthranilic acid
N-(2,3-Xylyl)-2-aminobenzoic acid
Nu Pharm Brand of Mefenamic Acid
Nu-Pharm Brand of Mefenamic Acid
Parke Davis Brand of Mefenamic Acid
Pfizer Brand of Mefenamic Acid
Pharmascience Brand of Mefenamic Acid
Pinewood Brand of Mefenamic Acid
Warner Lambert Brand of Mefenamic Acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.77 | 8.87 | -53 | 1 | 3 | -1 | 52 | 240.282 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.37e-02 g/l | DrugBank-approved |
| MP | 230 | TCI |
| MP | 230 - 232 | Enamine Building Blocks |
| MP | 230...232 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | APIChem |
| Therapy | antiinflammatory, analgesic | SMDC Iconix |
| Target | COX | Selleck Chemicals |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : M-0957; NCC_SUPPLIER_SAMPLE_COMMENTS : OFF-WHITE POWDER | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: M-0957; SUPPLIER_COMMENTS: OFF-WHITE POWDER | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CTRA-2-E | Alpha-chymotrypsin (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2 | 0.68 | Binding ≤ 10μM |
| MDHM-2-E | Malate Dehydrogenase, Mitochondrial (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3 | 0.66 | Binding ≤ 10μM |
| AMPC-1-B | Beta-lactamase (cluster #1 Of 6), Bacterial | Bacteria | 3 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CTRA_BOVIN | P00766 | Alpha-chymotrypsin, Bovin | 2 | 0.68 | Binding ≤ 1μM |
| AMPC_ECOLI | P00811 | Beta-lactamase, Ecoli | 3 | 0.66 | Binding ≤ 1μM |
| AMPC_ENTCL | P05364 | Beta-lactamase, Entcl | 3 | 0.66 | Binding ≤ 1μM |
| MDHM_PIG | P00346 | Malate Dehydrogenase Mitochondrial, Pig | 3 | 0.66 | Binding ≤ 1μM |
| CTRA_BOVIN | P00766 | Alpha-chymotrypsin, Bovin | 2 | 0.68 | Binding ≤ 10μM |
| AMPC_ENTCL | P05364 | Beta-lactamase, Entcl | 3 | 0.66 | Binding ≤ 10μM |
| AMPC_ECOLI | P00811 | Beta-lactamase, Ecoli | 3 | 0.66 | Binding ≤ 10μM |
| MDHM_PIG | P00346 | Malate Dehydrogenase Mitochondrial, Pig | 3 | 0.66 | Binding ≤ 10μM |
