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
LURBINECTEDIN

LURBINECTEDIN


ATC L01XX69

ANTINEOPLASTIC
TREATMENT OF METASTATIC SMALL CELL LUNG CANCER (SCLC)
COVALENT ALKYLATING DRUG
BINDS GUANINE RESIDUES IN THE MINOR GROOVE OF DNA FORMING ADDUCTS

INTRAVENOUS

Cmax 136.3 NANOMOLAR

VD 504 LITER

PPB 99 PERCENT

Cl 11 LITER / HOUR

HT 51 HOUR

DNA

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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