Cheminformatic Tools and Databases for Pharmacology

session 26651 - Total of 5 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
PALIPERIDONE (is an active metabolite)

PALIPERIDONE


ATC N05AX13

NERVOUS SYSTEM
ANTIPSYCHOTIC
SCHIZOPHRENIA
BENZISOXAZOLE DERIVATIVES
DOPAMINE D2 RECEPTOR ANTAGONIST
SEROTONIN TYPE 2 (5HT2A) RECEPTOR ANTAGONIST

ORAL

Tmax 3 HOUR

VD 391 LITER

PPB 74 PERCENT

Cl 10.8 LITER / HOUR (EQN)

HT 25 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

5-HYDROXYTRYPTAMINE 2A RECEPTOR
D(2) DOPAMINE RECEPTOR
ALPHA1 ADRENERGIC RECEPTOR
ALPHA2 ADRENERGIC RECEPTOR
H1 HISTAMINERGIC RECEPTOR

DOPAMINE D2 RECEPTOR ANTAGONIST CHEMBL217 DOPAMINE D2 RECEPTOR P14416 D(2) DOPAMINE RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR DOPAMINE RECEPTORANSM (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
PALIPERIDONE (is an active metabolite)

PALIPERIDONE


ATC N05AX13

NERVOUS SYSTEM
ANTIPSYCHOTIC
SCHIZOPHRENIA
BENZISOXAZOLE DERIVATIVES
DOPAMINE D2 RECEPTOR ANTAGONIST
SEROTONIN TYPE 2 (5HT2A) RECEPTOR ANTAGONIST

ORAL

Tmax 3 HOUR

VD 391 LITER

PPB 74 PERCENT

Cl 10.8 LITER / HOUR (EQN)

HT 25 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

5-HYDROXYTRYPTAMINE 2A RECEPTOR
D(2) DOPAMINE RECEPTOR
ALPHA1 ADRENERGIC RECEPTOR
ALPHA2 ADRENERGIC RECEPTOR
H1 HISTAMINERGIC RECEPTOR

DOPAMINE D2 RECEPTOR ANTAGONIST CHEMBL217 DOPAMINE D2 RECEPTOR P14416 D(2) DOPAMINE RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR DOPAMINE RECEPTORANSM (in French)

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
PALIPERIDONE PALMITATE (has an active metabolite)

PALIPERIDONE PALMITATE


ATC N05AX13

NERVOUS SYSTEM
ANTIPSYCHOTIC
SCHIZOPHRENIA
BENZISOXAZOLE DERIVATIVES
DOPAMINE D2 RECEPTOR ANTAGONIST
SEROTONIN TYPE 2 (5HT2A) RECEPTOR ANTAGONIST

INTRAMUSCULAR

SOLUBILITY VERY SLIGHTLY SOLUBLE IN ETHANOL

5-HYDROXYTRYPTAMINE 2A RECEPTOR
D(2) DOPAMINE RECEPTOR
ALPHA1 ADRENERGIC RECEPTOR
ALPHA2 ADRENERGIC RECEPTOR
H1 HISTAMINERGIC RECEPTOR

DOPAMINE D2 RECEPTOR ANTAGONIST CHEMBL217 DOPAMINE D2 RECEPTOR P14416 D(2) DOPAMINE RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR DOPAMINE RECEPTORANSM (in French)

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
PALIPERIDONE PALMITATE (has an active metabolite)

PALIPERIDONE PALMITATE


ATC N05AX13

NERVOUS SYSTEM
ANTIPSYCHOTIC
SCHIZOPHRENIA
BENZISOXAZOLE DERIVATIVES
DOPAMINE D2 RECEPTOR ANTAGONIST
SEROTONIN TYPE 2 (5HT2A) RECEPTOR ANTAGONIST

INTRAMUSCULAR

SOLUBILITY VERY SLIGHTLY SOLUBLE IN ETHANOL

5-HYDROXYTRYPTAMINE 2A RECEPTOR
D(2) DOPAMINE RECEPTOR
ALPHA1 ADRENERGIC RECEPTOR
ALPHA2 ADRENERGIC RECEPTOR
H1 HISTAMINERGIC RECEPTOR

DOPAMINE D2 RECEPTOR ANTAGONIST CHEMBL217 DOPAMINE D2 RECEPTOR P14416 D(2) DOPAMINE RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR DOPAMINE RECEPTORANSM (in French)

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
RISPERIDONE (has an active metabolite)

RISPERIDONE


ATC N05AX08

NERVOUS SYSTEM
ANTIPSYCHOTIC
TREATMENT OF SCHIZOPHRENIA
DOPAMINE ANTAGONISTS
SEROTONIN ANTAGONISTS

ORAL INTRAMUSCULAR SUBCUTANEOUS

Tmax 1 HOUR

F 70 PERCENT

VD 97.5 LITER (65 KILOGRAM)

PPB 90 PERCENT

Cl 21 LITER / HOUR

HT 3 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

5-HYDROXYTRYPTAMINE 2A RECEPTOR
D(2) DOPAMINE RECEPTOR
ALPHA 1 ADRENERGIC RECEPTOR
ALPHA 2 ADRENERGIC RECEPTOR
H1 HISTAMINIC RECEPTOR

PDB 6C38 (STRUCTURE OF THE D2 DOPAMINE RECEPTOR BOUND TO THE ATYPICAL ANTIPSYCHOTIC DRUG RISPERIDONE)

LIGAND CODE = 8NU (link to the list of PDB complexes)

Download experimental 3D coordinates of 8NU with added hydrogens

DOPAMINE D2 RECEPTOR ANTAGONIST CHEMBL217 DOPAMINE D2 RECEPTOR P14416 D(2) DOPAMINE RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR DOPAMINE RECEPTORANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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