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
EDARAVONE

EDARAVONE


ATC N07XX14

NERVOUS SYSTEM
TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS (ALS)

INTRAVENOUS ORAL

PPB 92 PERCENT

HT 5.25 HOUR

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

PDB 5S52 (TUBULIN-Z50145861-COMPLEX)

LIGAND CODE = W1P (link to the list of PDB complexes)

Download experimental 3D coordinates of W1P with added hydrogens

reactive chemical speciesANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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