Cheminformatic Tools and Databases for Pharmacology

session 30867 - Total of 2 hits - Display   hits per page:

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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
FLURAZEPAM (has an active metabolite)

FLURAZEPAM


ATC N05CD01

NERVOUS SYSTEM
HYPNOTIC
GABA MODULATORS
SEDATIVES
TREATMENT OF INSOMNIA

ORAL

Cmax 5.8 NANOMOLAR

Tmax 0.66 HOUR

HT 2.3 HOUR

SOLUBILITY VERY SOLUBLE IN WATER

GAMMA-AMINOBUTYRIC-ACID RECEPTOR

PDB 2YOE (X-RAY STRUCTURE OF A PENTAMERIC LIGAND GATED ION CHANNEL FROM ERWINIA CHRYSANTHEMI (ELIC) IN COMPLEX WITH GABA AND FLURAZEPAM)

LIGAND CODE = FL7 (link to the list of PDB complexes)

Download experimental 3D coordinates of FL7 with added hydrogens

GABA-A RECEPTOR ANION CHANNEL POSITIVE ALLOSTERIC MODULATOR CHEMBL2093872 GABA-A RECEPTOR ANION CHANNEL P14867 GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1 HOMO SAPIENS ION CHANNEL LGIC GABAAANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 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
M FLURAZEPAM (is an active metabolite)

FLURAZEPAM


ATC N05CD01

NERVOUS SYSTEM
HYPNOTIC
GABA MODULATORS
SEDATIVES
TREATMENT OF INSOMNIA

-

HT 73.5 HOUR

GAMMA-AMINOBUTYRIC-ACID RECEPTOR

GABA-A RECEPTOR ANION CHANNEL POSITIVE ALLOSTERIC MODULATOR CHEMBL2093872 GABA-A RECEPTOR ANION CHANNEL P14867 GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1 HOMO SAPIENS ION CHANNEL LGIC GABAAANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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