Cheminformatic Tools and Databases for Pharmacology

session 35649 - 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
M QUETIAPINE (is an active metabolite)

QUETIAPINE


ATC N05AH04

NERVOUS SYSTEM
ANTIPSYCHOTIC
SCHIZOPHRENIA
DIBENZOTHIAZEPINE FAMILY
DOPAMINE D2 RECEPTOR ANTAGONIST (IC50=329 NANOMOLAR)
SEROTONIN (5HT2) ANTAGONIST (IC50=148 NANOMOLAR)
SEROTONIN 5HT1A ANTAGONIST (IC50=717 NANOMOLAR)
DOPAMINE D1 ANTAGONIST (IC50=1268 NANOMOLAR)
HISTAMINE H1 ANTAGONIST (IC50=30 NANOMOLAR)
ADRENERGIC ALPHA 1 RECEPTOR ANTAGONIST (IC50= 94 NANOMOLAR)
ADRENARGIC ALPHA 2 RECEPTOR ANTAGONIST (IC50=271 NANOMOLAR)
NO APPRECIABLE AFFINITY AT CHOLINERGIC MUSCARINIC AND BENZODIAZEPINE RECEPTORS (IC50 SUPERIOR TO 5000 NANOMOLAR)

- 5-HYDROXYTRYPTAMINE 2 RECEPTOR
D2 DOPAMINE 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
QUETIAPINE (has an active metabolite)

QUETIAPINE


ATC N05AH04

NERVOUS SYSTEM
ANTIPSYCHOTIC
SCHIZOPHRENIA
DIBENZOTHIAZEPINE FAMILY
DOPAMINE D2 RECEPTOR ANTAGONIST (IC50=329 NANOMOLAR)
SEROTONIN (5HT2) ANTAGONIST (IC50=148 NANOMOLAR)
SEROTONIN 5HT1A ANTAGONIST (IC50=717 NANOMOLAR)
DOPAMINE D1 ANTAGONIST (IC50=1268 NANOMOLAR)
HISTAMINE H1 ANTAGONIST (IC50=30 NANOMOLAR)
ADRENERGIC ALPHA 1 RECEPTOR ANTAGONIST (IC50= 94 NANOMOLAR)
ADRENARGIC ALPHA 2 RECEPTOR ANTAGONIST (IC50=271 NANOMOLAR)
NO APPRECIABLE AFFINITY AT CHOLINERGIC MUSCARINIC AND BENZODIAZEPINE RECEPTORS (IC50 SUPERIOR TO 5000 NANOMOLAR)

ORAL

F 100 PERCENT

VD 650 LITER (65 KILOGRAM)

PPB 83 PERCENT

Cl 75 LITER / HOUR (EQN)

HT 6 HOUR

SOLUBILITY MODERATELY SOLUBLE IN WATER

5-HYDROXYTRYPTAMINE 2 RECEPTOR
D2 DOPAMINE 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



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