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
OSILODROSTAT

OSILODROSTAT


ATC H02CA02

HORMONES
CORTISOL SYNTHESIS INHIBITOR
TREATMENT OF CUSHINGÂ’S DISEASE
INHIBITOR OF 11 BETA-HYDROXYLASE (CYP11B1) (IC50 = 2.5 NM)

ORAL

Tmax 1 HOUR

VD 100 LITER

PPB 36.4 PERCENT

HT 4 HOUR

11 BETA-HYDROXYLASE (CYP11B1)

PDB 7M8V (HUMAN CYP11B2 IN COMPLEX WITH LCI699)

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

Download experimental 3D coordinates of YSY with added hydrogens

Cytochrome P450 11B1, mitochondrial inhibitor P15538 (C11B1_HUMAN)ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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