Browse e-DRUG3D database

Cheminformatic Tools and Databases for Pharmacology
Home	e-Drug3D	LEA3D	SENSAAS	IPMC

session 22484 - 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)

INN

Class

Route (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 complex

Targets from DrugCentral

Links

VORTIOXETINE

ATC N06AX26

NERVOUS SYSTEM
TREATMENT OF MAJOR DEPRESSIVE DISORDER
ENHANCEMENT OF SEROTONERGIC ACTIVITY
INHIBITION OF THE REUPTAKE OF SEROTONIN (5-HT)
SEROTONIN TRANSPORTER INHIBITOR (KI=1.6 NANOMOLAR)
5-HT3 RECEPTOR ANTAGONIST (KI=3.7 NANOMOLAR) AND 5-HT1A RECEPTOR AGONIST (KI=15 NANOMOLAR), 5-HT7 (KI=19 NM), 5-HT1D (KI=54 NM), AND 5-HT1B (KI=33 NM), RECEPTORS AND IS A 5-HT3, 5-HT1D, AND 5-HT7 RECEPTOR ANTAGONIST, 5-HT1B RECEPTOR PARTIAL AGONIST, AND 5-HT1A RECEPTOR AGONIST.

ORAL

Cmax 110 NANOMOLAR

F 75 PERCENT

VD 2600 LITER

PPB 98 PERCENT

Cl 27.3 LITER / HOUR (EQN)

HT 66 HOUR

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

SEROTONIN TRANSPORTER

PDB 8BLA (HUMAN SEROTONIN 5-HT3A RECEPTOR IN COMPLEX WITH VORTIOXETINE (DETERGENT, ECD ONLY, ACTIVE, DISTORTED CONFORMATION))

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

Download experimental 3D coordinates of VTX with added hydrogens