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
INDAPAMIDE

INDAPAMIDE


ATC C03BA11
ATC C09BX01
ATC C10BX13

CARDIOVASCULAR
DIURETIC
ANTIHYPERTENSIVE
DECREASES SERUM POTASSIUM

ORAL

Cmax 711.5 NANOMOLAR

Tmax 2 HOUR

F 100 PERCENT

PPB 75 PERCENT

HT 14 HOUR

SOLUBILITY IS SOLUBLE IN AQUEOUS SOLUTIONS OF STRONG BASES

ION CHANNELS

PDB 3BL1 (CARBONIC ANHYDRASE INHIBITORS. SULFONAMIDE DIURETICS REVISITED OLD LEADS FOR NEW APPLICATIONS)

LIGAND CODE = BL1 (link to the list of PDB complexes)

Download experimental 3D coordinates of BL1 with added hydrogens

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

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ChEMBL
BindingDB
DrugBank



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