Cheminformatic Tools and Databases for Pharmacology

session 99345 - Total of 1 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
ACETAMINOPHEN

ACETAMINOPHENNATURAL MOLECULE (link)


ATC N02BE01
ATC N02AJ06
ATC N02AJ01
ATC N02AJ17
ATC N02BE51
ATC N02BE71
ATC N02AJ13

NERVOUS SYSTEM
ANTIPYRETIC
ANALGESIC
NON-SALICYLATE ANALGESIC
MECHANISM IS NOT ESTABLISHED BUT IT INVOLVES CENTRAL ACTIONS

RECTAL ORAL INJECTION INTRAVENOUS

Cmax 27.8 NANOMOLAR

Tmax 1 HOUR

VD 58.5 LITER (65 KILOGRAM)

PPB 20 PERCENT

Cl 17.5 LITER / HOUR (65 KILOGRAM)

HT 2.1 HOUR

PROSTAGLANDIN G/H SYNTHASE 1
PROSTAGLANDIN G/H SYNTHASE 2

PDB 2DPZ (STRUCTURE OF THE COMPLEX OF PHOSPHOLIPASE A2 WITH N-(4-HYDROXYPHENYL)- ACETAMIDE AT 2.1 A RESOLUTION)

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

Download experimental 3D coordinates of TYL with added hydrogens

ANANDAMIDE AMIDOHYDROLASE INHIBITOR CHEMBL2243 ANANDAMIDE AMIDOHYDROLASE O00519 FATTY-ACID AMIDE HYDROLASE 1 HOMO SAPIENS ENZYMEANSM (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 |