Cheminformatic Tools and Databases for Pharmacology

session 55723 - 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
VALDECOXIB DISCONTINUED

VALDECOXIB


ATC M01AH03

MUSCULO-SKELETAL SYSTEM
ENZYME INHIBITOR (COX-2)
ANTIINFLAMMATORY
ANALGESIC
NONSTEROIDAL ANTIINFLAMMATORY AGENTS (NSAIDS)
ANALGESIC
ANTIPYRETIC

ORAL

Cmax 513 NANOMOLAR

Tmax 3 HOUR

F 83 PERCENT

VD 86 LITER

PPB 98 PERCENT

Cl 6 LITER / HOUR

HT 8.11 HOUR

SOLUBILITY RELATIVELY INSOLUBLE IN WATER (10 MICROGRAM / MILLILITER AT 25 DEGREE CELSIUS AND PH 7.0

PROSTAGLANDIN G/H SYNTHASE 2

PDB 2AW1 (CARBONIC ANHYDRASE INHIBITORS: VALDECOXIB BINDS TO A DIFFERENT ACTIVE SITE REGION OF THE HUMAN ISOFORM II AS COMPARED TO THE STRUCTURALLY RELATED CYCLOOXYGENASE II "SELECTIVE" INHIBITOR CELECOXIB)

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

Download experimental 3D coordinates of COX with added hydrogens

CYCLOOXYGENASE-2 INHIBITOR CHEMBL230 CYCLOOXYGENASE-2 P35354 PROSTAGLANDIN G/H SYNTHASE 2 HOMO SAPIENS ENZYME REDUCTASEEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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