Cheminformatic Tools and Databases for Pharmacology

session 58696 - Total of 2 hits - Display   hits per page:

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

PYRAZINAMIDE


ATC J04AK01
ATC J04AM05

ANTIINFECTIVES
TUBERCULOSTATIC
ANTIFUNGAL
ANTIBIOTIC
ANTIBACTERIAL
ANALOGUE OF NICOTINAMIDE

ORAL

Cmax 227.8 MICROMOLAR

F 96.8 PERCENT

VD 55.1 LITER (EQN)

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

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 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
PYRAZINOIC ACID (is an active metabolite)

PYRAZINOIC ACID


ATC J04AK01
ATC J04AM05

ANTIINFECTIVES
TUBERCULOSTATIC
ANTIFUNGAL
ANTIBIOTIC
ANTIBACTERIAL
ANALOGUE OF NICOTINAMIDE

- MYCOBACTERIAL PYRAZINAMIDASE (PNCA)
XANTHINE OXYDASE

PDB 4NNI (STRUCTURAL BASIS FOR TARGETING THE RIBOSOMAL PROTEIN S1 OF MYCOBACTERIUM TUBERCULOSIS BY PYRAZINAMIDE)

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

Download experimental 3D coordinates of VGL with added hydrogens

3-oxoacyl-ACP synthase

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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