Cheminformatic Tools and Databases for Pharmacology

session 13007 - 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
DOXEPIN (has an active metabolite)

DOXEPIN


ATC N06AA12
ATC D04AX01

NERVOUS SYSTEM
ANTIDEPRESSANT
ANTI-ANXIETY AGENTS
TRICYCLIC PSYCHOTHERAPEUTIC AGENT
ANTI-PRURITIC
HISTAMINE RECEPTOR ANTAGONIST
TREATMENT OF INSOMNIA

ORAL TOPICAL

Cmax 168 NANOMOLAR

Tmax 3.5 HOUR

VD 11930 LITER

PPB 80 PERCENT

Cl 540 LITER / HOUR (EQN)

HT 15.3 HOUR

SOLUBILITY READILY SOLUBLE IN WATER

HISTAMINE H2 RECEPTOR
HISTAMINE H1 RECEPTOR

PDB 3RZE (STRUCTURE OF THE HUMAN HISTAMINE H1 RECEPTOR IN COMPLEX WITH DOXEPIN)

LIGAND CODE = D7V (link to the list of PDB complexes)

Download experimental 3D coordinates of D7V with added hydrogens

NOREPINEPHRINE TRANSPORTER INHIBITOR CHEMBL222 NOREPINEPHRINE TRANSPORTER P23975 SODIUM-DEPENDENT NORADRENALINE TRANSPORTER HOMO SAPIENS TRANSPORTER ELECTROCHEMICAL SLC SLC06ANSM (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 |