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
LENALIDOMIDE

LENALIDOMIDE


ATC L04AX04

ANTINEOPLASTIC
THALIDOMIDE ANALOG
POSSESSES IMMUNOMODULATORY, ANTIANGIOGENIC, AND ANTINEOPLASTIC PROPERTIES
TARGET NOT KNOWN
TREATMENT OF MULTIPLE MYELOMA (MM)

ORAL

Tmax 3.25 HOUR

PPB 30 PERCENT

HT 3 HOUR

SOLUBILITY SOLUBLE IN ORGANIC SOLVENT/WATER MIXTURES

PDB 5FQD (STRUCTURAL BASIS OF LENALIDOMIDE INDUCED CK1A DEGRADATION BY THE CRL4CRBN UBIQUITIN LIGASE)

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

Download experimental 3D coordinates of LVY with added hydrogens

Protein cereblon Q96SW2EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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