Cheminformatic Tools and Databases for Pharmacology

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
MEFENAMIC ACID

MEFENAMIC ACID


ATC M01AG01

MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY
ANALGESIC
ANTIPYRETIC
PROSTAGLANDIN SYNTHETASE INHIBITION

ORAL

Cmax 62.2 MICROMOLAR

Tmax 2 HOUR

VD 68.9 LITER (65 KILOGRAM)

PPB 90 PERCENT

Cl 21.2 LITER / HOUR

HT 3 HOUR

SOLUBILITY 0.004 PERCENT IN WATER

PROSTAGLANDIN G/H SYNTHASE 1
PROSTAGLANDIN G/H SYNTHASE 2

PDB 4JQA (AKR1C2 COMPLEX WITH MEFENAMIC ACID)

LIGAND CODE = ID8 (link to the list of PDB complexes)

Download experimental 3D coordinates of ID8 with added hydrogens

CYCLOOXYGENASE INHIBITOR CHEMBL2094253 CYCLOOXYGENASE P23219 PROSTAGLANDIN G/H SYNTHASE 1 HOMO SAPIENS ENZYME REDUCTASEANSM (in French)

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