Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5110)
Drug Name
Tolmetin
Synonyms
Tolectin; Tolmetina; Tolmetine; Tolmetino; Tolmetinum; Tolmetina [DCIT]; MCN 2559; McN-2559; Tolectin (TN); Tolmetin Sodium, Dihydrate; Tolmetine [INN-French]; Tolmetino [INN-Spanish]; Tolmetinum [INN-Latin]; Tolmetin (USAN/INN); Tolmetin [USAN:BAN:INN]; Acido 1-metil-5-(p-tolnil)-pirrol-2-acetico; Acido 1-metil-5-(p-tolnil)-pirrol-2-acetico [Spanish]; 1-Methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetic acid; 1-Methyl-5-(4-methylbenzoyl)-pyrrole-2-acetic acid; 1-Methyl-5-p-toluoylpyrrole-2-acetic acid; 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid; 5-(p-Toluoyl)-1-methylpyrrole-2-acetic acid
Indication Rheumatoid arthritis [ICD11: FA20] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 257.279 Topological Polar Surface Area 59.3
Heavy Atom Count 19 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
5509
ChEBI ID
CHEBI:71941
CAS Number
26171-23-3
TTD Drug ID
D09BHB
Formula
C15H15NO3
Canonical SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O
InChI
InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)
InChIKey
UPSPUYADGBWSHF-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Tol-CoA DM018289 N. A. Unclear - Unclear 1 [2]
Tol-GlcU DM018291 N. A. Unclear - Unclear 1 [2]
Tol-OH DM016856
162623572
Unclear - Unclear 1 [2]
MED5 DM015187
135911
Unclear - Unclear 2 [2]
Tol-COOH DM015250
193897
Unclear - Unclear 2 [2]
Tol-O-SO3H DM018290 N. A. Unclear - Unclear 2 [2]
Tol-Tau DM016077
44251089
Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010258 Tolmetin Tol-CoA Unclear - Unclear Unclear [2]
MR010261 Tolmetin Tol-OH Unclear - Unclear Unclear [2]
MR010264 Tolmetin Tol-GlcU Unclear - Unclear Unclear [2]
MR010259 Tol-CoA Tol-Tau Unclear - Unclear Unclear [2]
MR010260 Tol-CoA Tol-Gly Unclear - Unclear Unclear [2]
MR010262 Tol-OH Tol-COOH Unclear - Unclear Unclear [2]
MR010263 Tol-OH Tol-O-SO3H Unclear - Unclear Unclear [2]
⏷ Show the Full List of 7 MR(s)
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7311).
2 Identification of coenzyme A-related tolmetin metabolites in rats: relationship with reactive drug metabolites

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