| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 19 | Yes |
Popular Name: 1-Methyl-5-p-toluoylpyrrole-2-acetic acid 1-Methyl-5-p-toluoylpyrrole-2-ac…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 26171-23-3 , 35711-34-3 , 64490-92-2 , 64490-92-2, 26171-23-3 [t , 64490-92-2, 26171-23-3 [tolmetin] , [26171-23-3] , [35711-34-3]
1-Methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetic acid
1-Methyl-5-(4-methylbenzoyl)-pyrrole-2-acetic acid
1-Methyl-5-(p-toluoyl)pyrrole-2-acetic Acid Sodium Salt dihydrate
1-methyl-5-p-toluoylpyrrole-2-aceticacid
1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-
2-(1-Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetic acid
2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid
26171-23-3; D02355; Tolmetin (USAN/INN)
35711-34-3 (anhydrous sodium salt)
5-(p-Toluoyl)-1-methylpyrrole-2-acetic acid
5-22-06-00392 (Beilstein Handbook Reference)
64490-92-2 (sodium dihydrate salt)
64490-92-2; Prestwick_149; Tolmetin sodium salt dihydrate
Acido 1-metil-5-(p-tolnil)-pirrol-2-acetico
Acido 1-metil-5-(p-tolnil)-pirrol-2-acetico [Spanish]
Pyrrole-2-acetic acid, 1-methyl-5-p-toluoyl-
Sodium 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
Sodium 2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetate
Sodium 2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetate dihydrate
Tolmetin sodium salt dihydrate
tolmetin; tolmetine; tolmetino; tolmetinum
Tolmetina [DCIT];Tolmetine [INN-French];Tolmetino [INN-Spanish];Tolmetinum [INN-Latin]
| 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) | 2.73 | 9 | -48.31 | 0 | 4 | -1 | 62 | 256.281 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.31e-01 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Therapy | antiinflammatory | SMDC MicroSource |
| Warnings | IRRITANT | Matrix Scientific |
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IL8-1-E | Interleukin-8 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 90 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IL8_HUMAN | P10145 | Interleukin-8, Human | 90 | 0.52 | Binding ≤ 1μM |
| IL8_HUMAN | P10145 | Interleukin-8, Human | 90 | 0.52 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ATF4 activates genes | |
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events | |
| Peptide ligand-binding receptors | |
| Senescence-Associated Secretory Phenotype (SASP) |
No pre-computed analogs available. Try a structural similarity search.