Cheminformatic Tools and Databases for Pharmacology

session 4962 - 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
ARIPIPRAZOLE (is an active metabolite)

ARIPIPRAZOLE


ATC N05AX12

NERVOUS SYSTEM
ANTIPSYCHOTICS
TREATMENT OF BIPOLAR I DISORDER (SCHIZOPHRENIA)
D2 DOPAMINE RECEPTOR AGONIST (KI=0.34 NANOMOLAR)
5HT1A AGONIST (KI=1.7 NANOMOLAR)
5HT2A ANTAGONIST (KI=3.4 NANOMOLAR)
ADRENERGIC ALPHA1 RECEPTOR ANTAGONIST
D3 DOPAMINE RECEPTOR PARTIAL AGONIST (KI=0.8 NANOMOLAR)

ORAL INTRAMUSCULAR

Tmax 4 HOUR

F 87 PERCENT

VD 404 LITER

PPB 99 PERCENT

Cl 3.2 LITER / HOUR (65 KILOGRAM)

HT 75 HOUR

5-HYDROXYTRYPTAMINE 1A RECEPTOR
5-HYDROXYTRYPTAMINE 2A RECEPTOR
D2 DOPAMINE RECEPTOR
ADRENERGIC ALPHA1 RECEPTOR

PDB 6A7P (HUMAN SERUM ALBUMIN COMPLEXED WITH ARIPIPRAZOLE)

LIGAND CODE = 9SC (link to the list of PDB complexes)

Download experimental 3D coordinates of 9SC with added hydrogens

SEROTONIN 1A (5-HT1A) RECEPTOR PARTIAL AGONIST CHEMBL214 SEROTONIN 1A (5-HT1A) RECEPTOR P08908 5-HYDROXYTRYPTAMINE RECEPTOR 1A HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR SEROTONIN 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
ARIPIPRAZOLE LAUROXIL (has an active metabolite)

ARIPIPRAZOLE LAUROXIL


ATC N05AX12

NERVOUS SYSTEM
ANTIPSYCHOTICS
TREATMENT OF BIPOLAR I DISORDER (SCHIZOPHRENIA)
PRODRUG OF ARIPIPRAZOLE

INTRAMUSCULAR 5-HYDROXYTRYPTAMINE 1A RECEPTOR
5-HYDROXYTRYPTAMINE 2A RECEPTOR
D2 DOPAMINE RECEPTOR
ADRENERGIC ALPHA1 RECEPTOR

GPCR 5HT2A_HUMAN ANTAGONIST P28223 5HT1A_HUMAN PARTIAL AGONIST P08908 DRD2_HUMAN PARTIAL AGONIST P14416ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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