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
ESTRAMUSTINE (is an active metabolite)

ESTRAMUSTINE


ATC L01XX11

ANTINEOPLASTIC
ALKYLATING
TREATMENT OF PATIENTS WITH METASTATIC AND/OR PROGRESSIVE CARCINOMA OF THE PROSTATE

-

HT 13.6 HOUR

ESTROGEN RECEPTOR

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
ESTRAMUSTINE PHOSPHATE (has an active metabolite)

ESTRAMUSTINE PHOSPHATE


ATC L01XX11

ANTINEOPLASTIC
ALKYLATING
TREATMENT OF PATIENTS WITH METASTATIC AND/OR PROGRESSIVE CARCINOMA OF THE PROSTATE

ORAL

Tmax 2 HOUR

F 70 PERCENT

VD 7.8 LITER (65 KILOGRAM)

Cl 3.6 LITER / HOUR (65 KILOGRAM)

HT 2.4 HOUR

SOLUBILITY READILY SOLUBLE IN WATER

ESTROGEN RECEPTOR

Estrogen receptor beta UNIPROT Q92731 ESR2

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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