Molecule Details
InChIKeyUPSPUYADGBWSHF-UHFFFAOYSA-N
Compound NameTolmetin
Canonical SMILESCc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.53
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00500
Drug NameTolmetin
CAS Number26171-23-3
Groups approved
ATC Codes M01AB03 M02AA21
DescriptionA non-steroidal anti-inflammatory agent (anti-inflammatory agents, NON-steroidal) similar in mode of action to indomethacin.

Categories: Acetic Acid Derivatives and Related Substances Agents causing hyperkalemia Agents that produce hypertension Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Anti-Inflammatory Agents, Non-Steroidal (Non-Selective) Antiinflammatory Preparations, Non-Steroids for Topical Use Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antirheumatic Agents Cyclooxygenase Inhibitors Enzyme Inhibitors Musculo-Skeletal System Nephrotoxic agents Non COX-2 selective NSAIDS OAT1/SLC22A6 inhibitors Peripheral Nervous System Agents Sensory System Agents Topical Products for Joint and Muscular Pain
Cross-references: BindingDB: 50295287 ChEBI: 71941 CHEMBL1020 ChemSpider: 5308 Drugs Product Database (DPD): 11239 C07149 PDB: TLT PharmGKB: PA451721 PubChem:5509 PubChem:46507060 RxCUI: 10636 Therapeutic Targets Database: DAP000777 Wikipedia: Tolmetin ZINC: ZINC000000002191
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P10145 CXCL8 Homo sapiens Human PF00048 7.0 IC50 ChEMBL;BindingDB
P23219 PTGS1 Homo sapiens Human PF03098 6.5 IC50 ChEMBL;BindingDB
P35354 PTGS2 Homo sapiens Human PF03098 6.1 IC50 ChEMBL;BindingDB
DrugBank Target Actions (6)
Target Gene Target Name Action Type
P02768 ALB Albumin binder carriers
P05164 MPO Myeloperoxidase inhibitor enzymes
P48775 TDO2 Tryptophan 2,3-dioxygenase inhibitor enzymes
P23219 PTGS1 Prostaglandin G/H synthase 1 inhibitor targets
P35354 PTGS2 Prostaglandin G/H synthase 2 inhibitor targets
Q4U2R8 SLC22A6 Solute carrier family 22 member 6 inhibitor transporters