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
DANAZOL

DANAZOL


ATC G03XA01

GENITO
ANTERIOR PITUITARY SUPPRESSANT
NUCLEAR RECEPTOR ANTAGONISTS

ORAL

Cmax 206 NANOMOLAR

Tmax 4 HOUR

VD 10175 LITER (EQN)

Cl 727 LITER / HOUR

HT 9.7 HOUR

SOLUBILITY INSOLUBLE IN WATER

ESTROGEN RECEPTOR
PROGESTERONE RECEPTOR
ANDROGEN RECEPTOR

PDB 6ULB (SEX HORMONE-BINDING GLOBULIN MUTANT E176K IN COMPLEX WITH DANAZOL)

LIGAND CODE = QA1 (link to the list of PDB complexes)

Download experimental 3D coordinates of QA1 with added hydrogens

PROGESTERONE RECEPTOR AGONIST CHEMBL208 PROGESTERONE RECEPTOR P06401 PROGESTERONE RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C3ANSM (in French)

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