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
AMLEXANOX DISCONTINUED

AMLEXANOX


ATC A01AD07
ATC R03DX01

METABOLISM
ANTI-ALLERGIC
ANTI-INFLAMMATORY
TREATMENT OF APHTHOUS ULCER

DENTAL TOPICAL

Cmax 402 NANOMOLAR

Tmax 2.4 HOUR

HT 3.5 HOUR

G PROTEIN-COUPLED RECEPTOR KINASES (GRKS) (PMID25340299)

PDB 2KOT (SOLUTION STRUCTURE OF S100A13 WITH A DRUG AMLEXANOX)

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

Download experimental 3D coordinates of ANW with added hydrogens

PHOSPHODIESTERASE 4 INHIBITOR CHEMBL2093863 PHOSPHODIESTERASE 4 P27815 CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4A HOMO SAPIENS ENZYME PHOSPHODIESTERASE PDE_4 PDE_4AEMA

ANSM (in French)

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ChEMBL
BindingDB
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