Cheminformatic Tools and Databases for Pharmacology

session 50970 - 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
IBUPROFEN

IBUPROFEN


ATC M01AE01
ATC C01EB16
ATC G02CC01
ATC M02AA13
ATC M01AE51
ATC R02AX02
ATC N02AJ08
ATC N02AJ19

MUSCULO-SKELETAL
ANALGESICS
ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL (NSAIDS)
CYCLOOXYGENASE INHIBITORS
TREATMENT OF A HAEMODYNAMICALLY SIGNIFICANT PATENT DUCTUS ARTERIOSUS IN PRETERM NEWBORN INFANTS (DRUG FOR RARE DISEASE IN EUROPE)

ORAL INTRAVENOUS

Cmax 92 MICROMOLAR

VD 7.8 LITER (65 KILOGRAM)

PPB 99 PERCENT

Cl 2.9 LITER / HOUR (65 KILOGRAM)

HT 2 HOUR

SOLUBILITY VERY SLIGHTLY SOLUBLE IN WATER

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

PDB 3R8G (AKR1C3 COMPLEX WITH IBUPROFEN)

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

Download experimental 3D coordinates of IZP with added hydrogens

CYCLOOXYGENASE INHIBITOR CHEMBL2094253 CYCLOOXYGENASE P23219 PROSTAGLANDIN G/H SYNTHASE 1 HOMO SAPIENS ENZYME REDUCTASEANSM (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 |