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
PERAMPANEL

PERAMPANEL


ATC N03AX22

NERVOUS SYSTEM
ANTIEPILEPTICS
NON-COMPETITIVE AMPA GLUTAMATE RECEPTOR ANTAGONIST
TREATMENT OF PARTIAL-ONSET SEIZURES

ORAL

VD 109 LITER (EQN)

PPB 95 PERCENT

Cl 0.72 LITER / HOUR

HT 105 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

AMPA GLUTAMATE RECEPTOR

PDB 5L1F (AMPA SUBTYPE IONOTROPIC GLUTAMATE RECEPTOR GLUA2 IN COMPLEX WITH NONCOMPETITIVE INHIBITOR PERAMPANEL)

LIGAND CODE = 6ZP (link to the list of PDB complexes)

Download experimental 3D coordinates of 6ZP with added hydrogens

GLUTAMATE RECEPTOR IONOTROPIC AMPA ANTAGONIST CHEMBL2096670 GLUTAMATE RECEPTOR IONOTROPIC AMPA P42261 GLUTAMATE RECEPTOR 1 HOMO SAPIENS ION CHANNEL LGIC GLUT AMPAEMA

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Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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