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
TRABECTEDIN

TRABECTEDINNATURAL MOLECULE (link)


ATC L01CX01

ANTINEOPLASTIC
ALKYLATING DRUG THAT BINDS GUANINE RESIDUES IN THE MINOR GROOVE OF DNA
TREATMENT OF PATIENTS WITH UNRESECTABLE OR METASTATIC LIPOSARCOMA OR LEIOMYOSARCOMA

INTRAVENOUS

VD 5000 LITER

PPB 97 PERCENT

Cl 31.5 LITER / HOUR

HT 175 HOUR

SOLUBILITY LOW SOLUBILITY IN WATER

DNA

DNAANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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