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
OXAZEPAM (is an active metabolite)

OXAZEPAM


ATC N05BA04

NERVOUS SYSTEM
ANXIOLYTIC
ANTI-ANXIETY AGENTS
GABA MODULATORS
HYPNOTICS AND SEDATIVES

ORAL

Cmax 1.57 MICROMOLAR

VD 38 LITER (65 KILOGRAM)

PPB 96 PERCENT

Cl 4.3 LITER / HOUR

HT 8.2 HOUR

GAMMA-AMINOBUTYRIC-ACID RECEPTOR

GABA-A receptor alpha-1,beta-3,gamma-2 UNIPROT P14867 GABRA1

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
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
OXAZEPAM (is an active metabolite)

OXAZEPAM


ATC N05BA04

NERVOUS SYSTEM
ANXIOLYTIC
ANTI-ANXIETY AGENTS
GABA MODULATORS
HYPNOTICS AND SEDATIVES

ORAL

Cmax 1.57 MICROMOLAR

VD 38 LITER (65 KILOGRAM)

PPB 96 PERCENT

Cl 4.3 LITER / HOUR

HT 8.2 HOUR

GAMMA-AMINOBUTYRIC-ACID RECEPTOR

GABA-A receptor alpha-1,beta-3,gamma-2 UNIPROT P14867 GABRA1

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

3 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
TEMAZEPAM (is an active metabolite) (has an active metabolite)

TEMAZEPAM


ATC N05CD07

NERVOUS SYSTEM
HYPNOTICS AND SEDATIVES
BENZODIAZEPINES
GABA MODULATORS
ALLOSTERIC POSITIVE

ORAL

Cmax 2.7 MICROMOLAR

F 92 PERCENT

PPB 96 PERCENT

HT 8.8 HOUR

SOLUBILITY VERY SLIGHTLY SOLUBLE IN WATER

GABA RECEPTOR

GABA-A receptor alpha-1,beta-2,gamma-2 UNIPROT P14867 GABRA1

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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