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
IDARUBICIN

IDARUBICIN


ATC L01DB06

ANTINEOPLASTIC
ANTIBIOTICS
CYTOTOXIC
ANTHRACYCLINES
ANTILEUKEMIC DRUG

INJECTION

VD 2470 LITER (65 KILOGRAM)

PPB 97 PERCENT

Cl 93 LITER / HOUR (65 KILOGRAM)

HT 22 HOUR

DNA TOPOISOMERASE 2-ALPHA

PDB 4LB2 (X-RAY STUDY OF HUMAN SERUM ALBUMIN COMPLEXED WITH IDARUBICIN)

LIGAND CODE = DM5 (link to the list of PDB complexes)

Download experimental 3D coordinates of DM5 with added hydrogens

DNA TOPOISOMERASE II ALPHA INHIBITOR CHEMBL1806 DNA TOPOISOMERASE II ALPHA P11388 DNA TOPOISOMERASE 2-ALPHA HOMO SAPIENS ENZYME ISOMERASEANSM (in French)

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SIDER side effects

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ChEMBL
BindingDB
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