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
PANOBINOSTAT DISCONTINUED

PANOBINOSTAT


ATC L01XX42

ANTINEOPLASTIC
HISTONE DEACETYLASE (HDAC) INHIBITOR
TREATMENT OF MULTIPLE MYELOMA

ORAL

Tmax 2 HOUR

F 21 PERCENT

VD 8542 LITER (EQN)

PPB 90 PERCENT

Cl 160 LITER / HOUR

HT 37 HOUR

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

HISTONE DEACETYLASE

PDB 5EF8 (CRYSTAL STRUCTURE OF DANIO RERIO HISTONE DEACETYLASE 6 CATALYTIC DOMAIN 2 IN COMPLEX WITH PANOBINOSTAT)

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

Download experimental 3D coordinates of LBH with added hydrogens

HISTONE DEACETYLASE INHIBITOR CHEMBL2093865 HISTONE DEACETYLASE O15379 HISTONE DEACETYLASE 3 HOMO SAPIENS EPIGENETIC REGULATOR ERASER HDAC HDAC CLASS IANSM (in French)

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