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
DAROLUTAMIDE (has an active metabolite)

DAROLUTAMIDE


ATC L02BB06

ANTINEOPLASTIC
ANDROGEN RECEPTOR INHIBITOR
TREATMENT OF NON-METASTATIC CASTRATION-RESISTANT PROSTATE CANCER

ORAL

Cmax 12 MICROMOLAR

Tmax 4 HOUR

F 30 PERCENT

VD 119 LITER

PPB 92 PERCENT

Cl 6.96 LITER / HOUR

HT 20 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN AQUEOUS MEDIUM

ANDROGEN RECEPTOR (AR)

Androgen receptor UNIPROT P10275 AR

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 DAROLUTAMIDE (is an active metabolite)

DAROLUTAMIDE


ATC L02BB06

ANTINEOPLASTIC
ANDROGEN RECEPTOR INHIBITOR
TREATMENT OF NON-METASTATIC CASTRATION-RESISTANT PROSTATE CANCER

-

PPB 99.8 PERCENT

HT 20 HOUR

ANDROGEN RECEPTOR (AR)

Androgen receptor UNIPROT P10275 AR

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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