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
FLECAINIDE

FLECAINIDE


ATC C01BC04

CARDIOVASCULAR
ANTIARRHYTHMIC
CARDIAC DEPRESSANT

ORAL

VD 366 LITER

PPB 48 PERCENT

Cl 17.6 LITER / HOUR

HT 12 HOUR

SOLUBILITY 48.4 MILLIGRAM / MILLILITER

SODIUM CHANNEL NAV1.5

PDB 6MVX (NAVAB VOLTAGE-GATED SODIUM CHANNEL, I217C, IN COMPLEX WITH CLASS 1C ANTI-ARRHYTHMIC FLECAINIDE)

LIGAND CODE = K4D (link to the list of PDB complexes)

Download experimental 3D coordinates of K4D with added hydrogens

SODIUM CHANNEL PROTEIN TYPE V ALPHA SUBUNIT BLOCKER CHEMBL1980 SODIUM CHANNEL PROTEIN TYPE V ALPHA SUBUNIT Q14524 SODIUM CHANNEL PROTEIN TYPE 5 SUBUNIT ALPHA HOMO SAPIENS ION CHANNEL VGC VG NAEMA

ANSM (in French)

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Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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