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
THALIDOMIDE

THALIDOMIDE


ATC L04AX02

ANTINEOPLASTIC
MULTIPLE MYELOMA (MM)
HYPNOTIC
ANXIOLYTIC
ANGIOGENESIS INHIBITORS
IMMUNOSUPPRESSIVE AGENTS
LEPROSTATIC AGENTS
TERATOGENS
ERYTHEMA NODOSUM LEPROSUM
POSSESSES IMMUNOMODULATORY, ANTIINFLAMMATORY AND ANTIANGIOGENIC PROPERTIES

ORAL

Cmax 10.9 MICROMOLAR

Tmax 4.3 HOUR

VD 61.7 LITER (65 KILOGRAM)

PPB 55 PERCENT

Cl 8 LITER / HOUR

HT 7.29 HOUR

SOLUBILITY SPARINGLY SOLUBLE IN WATER

PDB 5YJ1 (MOUSE CEREBLON THALIDOMIDE BINDING DOMAIN COMPLEXED WITH R-FORM THALIDOMIDE)

LIGAND CODE = 6EL (link to the list of PDB complexes)

Download experimental 3D coordinates of 6EL with added hydrogens

Protein cereblon Q96SW2ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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