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

Stem definitionDrug idCAS RN
1935 51803-78-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • nimesulide
  • mesulide
  • mesulid
  • nimsulid
  • sulidene
  • sulide
  • sulidan
  • Molecular weight: 308.31
  • Formula: C13H12N2O5S
  • CLOGP: 3.21
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 1
  • TPSA: 101.22
  • ALOGS: -4.23
  • ROTB: 4

Drug dosage:

DoseUnitRoute
0.20 g O

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 2 Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 0.01 mg/mL Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 2 % Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 9.27 ┬ÁM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1985 YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Renal failure neonatal 108.35 55.04 12 175 38 2357860
Neonatal respiratory acidosis 83.50 55.04 9 178 20 2357878
Ductus arteriosus stenosis foetal 82.90 55.04 9 178 22 2357876
Abdominal pain upper 78.81 55.04 22 165 22078 2335820
Drug abuse 66.57 55.04 17 170 12009 2345889
Bradycardia neonatal 66.45 55.04 9 178 184 2357714
Cyanosis neonatal 64.75 55.04 8 179 76 2357822
Premature baby 64.41 55.04 13 174 3191 2354707
Neonatal respiratory distress syndrome 64.12 55.04 10 177 558 2357340
Intentional self-injury 55.43 55.04 12 175 4115 2353783

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Mixed liver injury 63.16 58.93 9 108 264 1746400
Face oedema 62.08 58.93 12 105 2324 1744340

Pharmacologic Action:

SourceCodeDescription
ATC M01AX17 MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Other antiinflammatory and antirheumatic agents, non-steroids
ATC M02AA26 MUSCULO-SKELETAL SYSTEM
TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Antiinflammatory preparations, non-steroids for topical use
MeSH PA D000700 Analgesics
MeSH PA D018712 Analgesics, Non-Narcotic
CHEBI has role CHEBI:35475 non-steroidal anti-inflammatory drug
MeSH PA D000893 Anti-Inflammatory Agents
MeSH PA D000894 Anti-Inflammatory Agents, Non-Steroidal
MeSH PA D018501 Antirheumatic Agents
MeSH PA D016861 Cyclooxygenase Inhibitors
MeSH PA D004791 Enzyme Inhibitors
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 6.03 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
Sodium-dependent dopamine transporter Transporter Ki 4.93 DRUG MATRIX
Interstitial collagenase Enzyme IC50 4.63 DRUG MATRIX
Myeloperoxidase Enzyme IC50 5.68 CHEMBL
Prostaglandin G/H synthase 1 Enzyme IC50 5.42 CHEMBL
cAMP-specific 3',5'-cyclic phosphodiesterase 4A Enzyme IC50 5.70 WOMBAT-PK
Prostaglandin G/H synthase 2 Enzyme IC50 5.91 WOMBAT-PK
Aromatase Enzyme IC50 4.57 WOMBAT-PK
Prostaglandin G/H synthase 1 Enzyme IC50 5.21 CHEMBL
Prostaglandin G/H synthase 2 Enzyme IC50 6.40 CHEMBL
Sodium-dependent neutral amino acid transporter B(0)AT1 Unclassified INHIBITOR IC50 4.64 IUPHAR

External reference:

IDSource
C0132515 UMLSCUI
D01049 KEGG_DRUG
703480002 SNOMEDCT_US
004182 NDDF
53694 RXNORM
703479000 SNOMEDCT_US
CHEMBL56367 ChEMBL_ID
V4TKW1454M UNII
4885 INN_ID
NIM PDB_CHEM_ID
DB04743 DRUGBANK_ID
CHEBI:44445 CHEBI
4495 PUBCHEM_CID
7401 IUPHAR_LIGAND_ID
C012655 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

None