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
ETHACRYNATE

ETHACRYNATE
ETHACRYNIC ACID


ATC C03CC01

CARDIOVASCULAR
DIURETIC
KETONE DERIVATIVE OF AN ARYLOXYACETIC ACID
TREATMENT OF EDEMA

INJECTION ORAL

SOLUBILITY VERY SLIGHTLY SOLUBLE IN WATER (ETHACRYNATE SODIUM, THE SODIUM SALT OF ETHACRYNIC ACID, IS SOLUBLE IN WATER)

PDB 11GS (GLUTATHIONE S-TRANSFERASE COMPLEXED WITH ETHACRYNIC ACID-GLUTATHIONE CONJUGATE (FORM II))

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

Download experimental 3D coordinates of EAA with added hydrogens

SODIUM-(POTASSIUM)-CHLORIDE COTRANSPORTER 2 INHIBITOR CHEMBL1874 SODIUM-(POTASSIUM)-CHLORIDE COTRANSPORTER 2 Q13621 SOLUTE CARRIER FAMILY 12 MEMBER 1 HOMO SAPIENS TRANSPORTER ELECTROCHEMICAL SLC SLC12ANSM (in French)

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