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

FEXINIDAZOLE


ATC P01CA03

ANTIPARASITIC
ANTIPROTOZOAL
NITROIMIDAZOLE ANTIMICROBIAL
TREATMENT OF HUMAN AFRICAN TRYPANOSOMIASIS (HAT) DUE TO TRYPANOSOMA BRUCEI GAMBIENSE

ORAL

Cmax 2.9 MICROMOLAR

Tmax 4 HOUR

VD 3222 LITER

PPB 98 PERCENT

Cl 161 LITER / HOUR

HT 15 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

Unknown

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
M FEXINIDAZOLE (is an active metabolite)

FEXINIDAZOLE


ATC P01CA03

ANTIPARASITIC
ANTIPROTOZOAL
NITROIMIDAZOLE ANTIMICROBIAL
TREATMENT OF HUMAN AFRICAN TRYPANOSOMIASIS (HAT) DUE TO TRYPANOSOMA BRUCEI GAMBIENSE

-

Cmax 27 MICROMOLAR

Tmax 4 HOUR

PPB 41 PERCENT

HT 16 HOUR

Unknown

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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