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
ADAPALENE

ADAPALENE


ATC D10AD03
ATC D10AD53

DERMATOLOGICALS
ANTI-ACNE
RETINOIDS
RETINOIC ACID RECEPTOR AGONIST

TOPICAL

Cmax 1.1 NANOMOLAR

HT 17.2 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

RETINOIC ACID RECEPTOR ALPHA
RETINOIC ACID RECEPTOR BETA
RETINOIC ACID RECEPTOR GAMMA

RETINOIC ACID RECEPTOR AGONIST CHEMBL2363069 RETINOIC ACID RECEPTOR P10276 RETINOIC ACID RECEPTOR ALPHA HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR1 NR1B NR1B1ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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