zomepirac Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
anti-inflammatory agents, ibufenac derivatives 2871 33369-31-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • zomepirac sodium dihydrate
  • zomepirac
  • zomiperac
  • zomepirac sodium salt
  • zomepirac sodium
  • Molecular weight: 291.73
  • Formula: C15H14ClNO3
  • CLOGP: 2.95
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 1
  • TPSA: 59.30
  • ALOGS: -4.05
  • ROTB: 4

Drug dosage:

DoseUnitRoute
0.30 g O

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 2 Hosey CM, Chan R, Benet LZ

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC M01AB04 MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Acetic acid derivatives and related substances
MeSH PA D000700 Analgesics
MeSH PA D018712 Analgesics, Non-Narcotic
CHEBI has role CHEBI:35475 non-steroidal anti-inflammatory drug
CHEBI has role CHEBI:35554 cardiovascular drug
MeSH PA D000893 Anti-Inflammatory Agents
MeSH PA D000894 Anti-Inflammatory Agents, Non-Steroidal
MeSH PA D018501 Antirheumatic Agents
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D018689 Sensory System Agents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.62 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Prostaglandin G/H synthase 2 Enzyme Ki 7.02 PDSP
Prostaglandin G/H synthase 1 Enzyme Ki 6.37 PDSP
Cyclooxygenase Enzyme IC50 4.82 CHEMBL

External reference:

IDSource
C0078840 UMLSCUI
D06382 KEGG_DRUG
39994 RXNORM
96176000 SNOMEDCT_US
004657 NDDF
822G987U9J UNII
4054 INN_ID
CHEBI:35859 CHEBI
CHEMBL266459 ChEMBL_ID
CHEMBL19490 ChEMBL_ID
ZOM PDB_CHEM_ID
DB04828 DRUGBANK_ID
64092-49-5 SECONDARY_CAS_RN
5733 PUBCHEM_CID
CHEMBL3989403 ChEMBL_ID
C020549 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

None