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
PRASTERONE (has an active metabolite)

PRASTERONE


ATC A14AA07
ATC G03EA03
ATC G03XX01

HORMONES
TREATMENT OF MODERATE TO SEVERE DYSPAREUNIA, A SYMPTOM OF VULVAR AND VAGINAL ATROPHY, DUE TO MENOPAUSE
STEROID
IS CONVERTED INTO ACTIVE ANDROGENS AND/OR ESTROGENS

VAGINAL

Cmax 15 NANOMOLAR

SOLUBILITY INSOLUBLE IN WATER

HYDROXYSTEROID DEHYDROGENASES
5ALPHA-REDUCTASES
AROMATASES

PDB 1Q22 (CRYSTAL STRUCTURE OF HUMAN CHOLESTEROL SULFOTRANSFERASE (SULT2B1B) IN THE PRESENCE OF DHEA AND PAP)

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

Download experimental 3D coordinates of AND with added hydrogens

Sex hormone-binding globulin P04278 (SHBG_HUMAN)EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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