Cheminformatic Tools and Databases for Pharmacology

session 9924 - 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
M OSELTAMIVIR (is an active metabolite)

OSELTAMIVIR


ATC J05AH02

ANTIINFECTIVES
ANTIVIRAL
INFLUENZA NEURAMINIDASE INHIBITOR

-

Cmax 1.22 MICROMOLAR

VD 24.5 LITER

PPB 3 PERCENT

Cl 2.1 LITER / HOUR (EQN)

HT 8 HOUR

NEURAMINIDASE

PDB 4QN7 (CRYSTAL STRUCTURE OF NEURAMNIDASE N7 COMPLEXED WITH OSELTAMIVIR)

LIGAND CODE = G39 (link to the list of PDB complexes)

Download experimental 3D coordinates of G39 with added hydrogens

NEURAMINIDASE INHIBITOR CHEMBL2051 NEURAMINIDASE P03468 NEURAMINIDASE INFLUENZA A VIRUS (A/PUERTO RICO/8/1934(H1N1)) ENZYME HYDROLASEEMA

ANSM (in French)

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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
OSELTAMIVIR (has an active metabolite)

OSELTAMIVIR


ATC J05AH02

ANTIINFECTIVES
ANTIVIRAL
INFLUENZA NEURAMINIDASE INHIBITOR
CONVERTED BY HEPATIC ESTERASES

ORAL

Cmax 208.3 NANOMOLAR

PPB 42 PERCENT

HT 2 HOUR

NEURAMINIDASE

NEURAMINIDASE INHIBITOR CHEMBL2051 NEURAMINIDASE P03468 NEURAMINIDASE INFLUENZA A VIRUS (A/PUERTO RICO/8/1934(H1N1)) ENZYME HYDROLASEEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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