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
METOLAZONE

METOLAZONE


ATC C03BA08
ATC C03EA12

CARDIOVASCULAR
QUINAZOLINE DIURETIC
ANTIHYPERTENSIVE
BLOCKER

ORAL

VD 104 LITER (65 KILOGRAM)

PPB 95 PERCENT

Cl 5.4 LITER / HOUR (65 KILOGRAM)

HT 14 HOUR

SOLUBILITY SPARINGLY SOLUBLE IN WATER

NA-CL COTRANSPORTER (NCC)

THIAZIDE-SENSITIVE SODIUM-CHLORIDE COTRANSPORTER INHIBITOR CHEMBL1876 THIAZIDE-SENSITIVE SODIUM-CHLORIDE COTRANSPORTER P55017 SOLUTE CARRIER FAMILY 12 MEMBER 3 HOMO SAPIENS TRANSPORTER ELECTROCHEMICAL SLC SLC12ANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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