Cheminformatic Tools and Databases for Pharmacology

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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 the equation t1/2 = VD / Cl * 0.693 was usedPrimary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
PYRAZINAMIDE (has an active metabolite)

PYRAZINAMIDE


ATC J04AK01
ATC J04AM09
ATC J04AM10
ATC J04AM11
ATC J04AM05

ANTIINFECTIVES
TUBERCULOSTATIC
ANTIFUNGAL
ANTIBIOTIC
ANTIBACTERIAL
ANALOGUE OF NICOTINAMIDE

ORAL

Cmax 227.8 MICROMOLAR

F 96.8 PERCENT

PPB 10 PERCENT

Cl 3.82 LITER / HOUR

HT 10 HOUR

SOLUBILITY SPARINGLY SOLUBLE IN WATER

MYCOBACTERIAL PYRAZINAMIDASE (PNCA)

PDB 5FPD (STRUCTURE OF HEAT SHOCK-RELATED 70KDA PROTEIN 2 WITH SMALL-MOLECULE LIGAND PYRAZINE-2-CARBOXAMIDE (AT513) IN AN ALTERNATE BINDING SITE.)

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

Download experimental 3D coordinates of PZA with added hydrogens

3-oxoacyl-ACP synthase

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

VigiAccess
SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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