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
MECLOFENAMATE

MECLOFENAMATE


ATC M01AG04
ATC M02AA18

MUSCULO-SKELETAL
ANALGESIC
ANTIINFLAMMATORY
ANTIPYRETIC
CYCLOOXYGENASE INHIBITORS
NSAID

ORAL

Cmax 16.2 MICROMOLAR

Tmax 1.25 HOUR

VD 23.3 LITER

PPB 99 PERCENT

Cl 12.3 LITER / HOUR

HT 1.3 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

PROSTAGLANDIN G/H SYNTHASE 1
LEUKOCYTE 5-LIPOXYGENASE
PROSTAGLANDIN G/H SYNTHASE 2

PDB 5IKQ (THE STRUCTURE OF MECLOFENAMIC ACID BOUND TO HUMAN CYCLOOXYGENASE-2)

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

Download experimental 3D coordinates of JMS with added hydrogens

ENZYME PGH2_HUMAN INHIBITOR P35354 PGH1_HUMAN INHIBITOR P23219 LOX5_HUMAN INHIBITOR P09917EMA

ANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
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