Cheminformatic Tools and Databases for Pharmacology

session 14885 - 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
LEMBOREXANT

LEMBOREXANT


ATC N05CJ02

NERVOUS SYSTEM
OREXIN RECEPTOR ANTAGONIST
TREATMENT OF INSOMNIA

ORAL

Tmax 2 HOUR

VD 1970 LITER

PPB 94 PERCENT

HT 19 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

OREXIN-1 RECEPTOR (IC50=6.1 NM)
OREXIN-2 RECEPTOR (IC50=2.6 NM)

PDB 6TOT (CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH LEMBOREXANT)

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

Download experimental 3D coordinates of NRK with added hydrogens

Orexin receptor type 1 UNIPROT O43613 HCRTR1 -- Orexin receptor type 2 UNIPROT O43614 HCRTR2

more at DrugCentral

EMA

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 |