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
THIOTEPA

THIOTEPA


ATC L01AC01

ANTINEOPLASTIC
ALKYLATING AGENT OF DNA

INJECTION INTRACAVITARY INTRAVENOUS INTRAVESICAL

Cmax 10.3 MICROMOLAR

VD 104 LITER (65 KILOGRAM)

PPB 10 PERCENT

Cl 25.14 LITER / HOUR

HT 2.4 HOUR

DNA

DNA INHIBITOR CHEMBL2311221 DNA HOMO SAPIENSANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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