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
AVANAFIL

AVANAFIL


ATC G04BE10

GENITO
PHOSPHODIESTERASE 5 (PDE5) INHIBITOR
TREATMENT OF ERECTILE DYSFUNCTION

ORAL

Tmax 0.62 HOUR

PPB 99 PERCENT

HT 5 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

PHOSPHODIESTERASE 5 (PDE5)

PDB 6L6E (HUMAN PDE5 CATALYTIC CORE IN COMPLEX WITH AVANAFIL)

LIGAND CODE = E6L (link to the list of PDB complexes)

Download experimental 3D coordinates of E6L with added hydrogens

PHOSPHODIESTERASE 5A INHIBITOR CHEMBL1827 PHOSPHODIESTERASE 5A O76074 CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE HOMO SAPIENS ENZYME PHOSPHODIESTERASE PDE_5 PDE_5AEMA

ANSM (in French)

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Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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