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
GEPIRONE DISCONTINUED (has an active metabolite)

GEPIRONE


ATC N06AX19

NERVOUS SYSTEM
TREATMENT OF MAJOR DEPRESSIVE DISORDER (MDD) IN ADULTS
5HT1A RECEPTOR AGONIST

ORAL

Tmax 6 HOUR

F 15 PERCENT

VD 94.5 LITER

PPB 72 PERCENT

HT 5 HOUR

SOLUBILITY READILY SOLUBLE IN WATER

5HT1A RECEPTOR

5-hydroxytryptamine receptor 1A UNIPROT P08908 HTR1A

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
M GEPIRONE DISCONTINUED (is an active metabolite)

GEPIRONE


ATC N06AX19

NERVOUS SYSTEM
TREATMENT OF MAJOR DEPRESSIVE DISORDER (MDD) IN ADULTS
5HT1A RECEPTOR AGONIST

-

PPB 59 PERCENT

5HT1A RECEPTOR

5-hydroxytryptamine receptor 1A UNIPROT P08908 HTR1A

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
M GEPIRONE DISCONTINUED (is an active metabolite)

GEPIRONE


ATC N06AX19

NERVOUS SYSTEM
TREATMENT OF MAJOR DEPRESSIVE DISORDER (MDD) IN ADULTS
ALPHA2 ADRENERGIC RECEPTOR ANTAGONIST

-

PPB 42 PERCENT

ALPHA2 ADRENERGIC RECEPTOR

-

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
M GEPIRONE DISCONTINUED (is an active metabolite)

GEPIRONE


ATC N06AX19

NERVOUS SYSTEM
TREATMENT OF MAJOR DEPRESSIVE DISORDER (MDD) IN ADULTS
5HT1A RECEPTOR AGONIST

-

PPB 59 PERCENT

5HT1A RECEPTOR

5-hydroxytryptamine receptor 1A UNIPROT P08908 HTR1A

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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