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 C09BX06
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

Solute carrier family 12 member 3 UNIPROT P55017 SLC12A3

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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