Cheminformatic Tools and Databases for Pharmacology

session 15346 - Total of 10 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
CLORAZEPATE (has an active metabolite)

CLORAZEPATE


ATC N05BA05

NERVOUS SYSTEM
ANXIOLYTIC
ANTICONVULSANTS
GABA MODULATORS

ORAL

VD 13 LITER (65 KILOGRAM)

Cl 4.29 LITER / HOUR (65 KILOGRAM)

HT 2.4 HOUR

SOLUBILITY SOLUBLE IN WATER

GAMMA-AMINOBUTYRIC-ACID RECEPTOR SUBUNIT ALPHA-1 (GABA)

GABA-A receptor alpha-1,beta-2,gamma-2 UNIPROT P14867 GABRA1 -- GABA-A receptor alpha-2,beta-3,gamma-2 UNIPROT P18507 GABRG2

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
CLORAZEPATE (has an active metabolite)

CLORAZEPATE


ATC N05BA05

NERVOUS SYSTEM
ANXIOLYTIC
ANTICONVULSANTS
GABA MODULATORS

ORAL

VD 13 LITER (65 KILOGRAM)

Cl 4.29 LITER / HOUR (65 KILOGRAM)

HT 2.4 HOUR

SOLUBILITY SOLUBLE IN WATER

GAMMA-AMINOBUTYRIC-ACID RECEPTOR SUBUNIT ALPHA-1 (GABA)

GABA-A receptor alpha-1,beta-2,gamma-2 UNIPROT P14867 GABRA1 -- GABA-A receptor alpha-2,beta-3,gamma-2 UNIPROT P18507 GABRG2

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
DIAZEPAM (has an active metabolite)

DIAZEPAM


ATC N05BA01

NERVOUS SYSTEM
ANXIOLYTIC
ANESTHETICS
ANTICONVULSANTS
ANTIEMETICS
GABA AGONIST
HYPNOTICS AND SEDATIVES
MUSCLE RELAXANTS, CENTRAL
BENZODIAZEPINE

ORAL INJECTION RECTAL NASAL BUCCAL

Tmax 1.25 HOUR

F 90 PERCENT

VD 58.5 LITER (65 KILOGRAM)

PPB 98 PERCENT

Cl 1.5 LITER / HOUR

HT 46 HOUR

SOLUBILITY INSOLUBLE IN WATER

GAMMA-AMINOBUTYRIC-ACID RECEPTOR

PDB 2BXF (HUMAN SERUM ALBUMIN COMPLEXED WITH DIAZEPAM)

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

Download experimental 3D coordinates of DZP with added hydrogens

GABA A receptor alpha-5,beta-2,gamma-3 UNIPROT P31644 GABRA5 -- 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

4 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
HALAZEPAM DISCONTINUED (has an active metabolite)

HALAZEPAM


ATC N05BA13

NERVOUS SYSTEM
ANXIOLYTIC
BENZODIAZEPINES
MUSCLE RELAXANTS
SEDATIVE
PRECUSOR OF DESMETHYLDIAZEPAM (PMID6123659)

ORAL

VD 732 LITER (EQN)

Cl 24 LITER / HOUR (PMID1980307)

HT 21.15 HOUR

GAMMA-AMINOBUTYRIC-ACID RECEPTOR

GABA-A receptor

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

5 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 DIAZEPAM (is an active metabolite) (has an active metabolite)

DIAZEPAM


ATC N05BA01

NERVOUS SYSTEM
ANXIOLYTIC
BENZODIAZEPINES
MUSCLE RELAXANTS
SEDATIVE

-

VD 29.2 LITER (65 KILOGRAM)

PPB 97 PERCENT

Cl 0.46 LITER / HOUR (65 KILOGRAM)

HT 46 HOUR

GAMMA-AMINOBUTYRIC-ACID RECEPTOR

GABA A receptor alpha-5,beta-2,gamma-3 UNIPROT P31644 GABRA5 -- 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

6 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

7 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

8 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
PRAZEPAM DISCONTINUED (has an active metabolite)

PRAZEPAM


ATC N05BA11

NERVOUS SYSTEM
ANXIOLYTIC
GABA MODULATORS
HYPNOTICS AND SEDATIVES

ORAL GAMMA-AMINOBUTYRIC-ACID 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

9 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)

TEMAZEPAM


ATC N05CD07

NERVOUS SYSTEM
HYPNOTICS AND SEDATIVES
BENZODIAZEPINES
GABA MODULATORS
ALLOSTERIC POSITIVE

ORAL

Cmax 2.7 MICROMOLAR

Tmax 1.5 HOUR

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

10 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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