Cheminformatic Tools and Databases for Pharmacology

session 15454 - 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
BALOXAVIR (is an active metabolite)

BALOXAVIR


ATC J05AX25

ANTIINFECTIVES
PRODRUG
POLYMERASE ACIDIC (PA) ENDONUCLEASE INHIBITOR
TREATMENT OF ACUTE UNCOMPLICATED INFLUENZA

-

Cmax 199 NANOMOLAR

Tmax 4 HOUR

VD 1180 LITER

PPB 93.4 PERCENT

Cl 10.3 LITER / HOUR

HT 79.1 HOUR

POLYMERASE ACIDIC PROTEIN

PDB 6FS6 (INFLUENZA A/CALIFORNIA/04/2009 (PH1N1) ENDONUCLEASE)

LIGAND CODE = E4Z (link to the list of PDB complexes)

Download experimental 3D coordinates of E4Z with added hydrogens

Polymerase acidic protein P03433ANSM (in French)

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
BALOXAVIR MARBOXIL (has an active metabolite)

BALOXAVIR MARBOXIL


ATC J05AX25

ANTIINFECTIVES
PRODRUG
POLYMERASE ACIDIC (PA) ENDONUCLEASE INHIBITOR
TREATMENT OF ACUTE UNCOMPLICATED INFLUENZA

ORAL

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

POLYMERASE ACIDIC PROTEIN

Polymerase acidic protein P03433 (PA_I34A1)ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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