Cheminformatic Tools and Databases for Pharmacology

session 11595 - Total of 2 hits - Display   hits per page:

Add another drug(s) by one keyword:
Exemple: “nib“ and click on the Search button (do not press Enter on the keyboard)

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
HALOPERIDOL (is an active metabolite)

HALOPERIDOL


ATC N05AD01

NERVOUS SYSTEM
ANTIPSYCHOTIC
TREATMENT OF SCHIZOPHRENIA
ANTIDYSKINETICS
DOPAMINE ANTAGONISTS
A BUTYROPHENONE NEUROLEPTIC AGENT

ORAL INJECTION

Cmax 15.3 NANOMOLAR

Tmax 4 HOUR

F 60 PERCENT

VD 1105 LITER (65 KILOGRAM)

PPB 92 PERCENT

Cl 30.4 LITER / HOUR (65 KILOGRAM)

HT 35 HOUR

D(1A) DOPAMINE RECEPTOR
D(2) DOPAMINE RECEPTOR

PDB 6DJZ (HUMAN SIGMA-1 RECEPTOR BOUND TO HALOPERIDOL)

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

Download experimental 3D coordinates of GMJ with added hydrogens

D2-LIKE DOPAMINE RECEPTOR INVERSE AGONIST CHEMBL2331075 D2-LIKE DOPAMINE 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
HALOPERIDOL DECANOATE (has an active metabolite)

HALOPERIDOL DECANOATE


ATC N05AD01

NERVOUS SYSTEM
ANTIPSYCHOTIC
DOPAMINE ANTAGONIST
DECANOATE ESTER OF THE BUTYROPHENONE
BLOCKS THE EFFECTS OF DOPAMINE
THE TREATMENT OF SCHIZOPHRENIC PATIENTS
BUTYROPHENONE DERIVATIVES

INJECTION

SOLUBILITY ALMOST INSOLUBLE IN WATER 0.01 MILLIGRAM / MILLILITER

DOPAMINE D2 RECEPTOR

D2-LIKE DOPAMINE RECEPTOR INVERSE AGONIST CHEMBL2331075 D2-LIKE DOPAMINE 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



Copyright © 2019 Université Côte d'Azur CNRS - All rights reserved
  | Contact |