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
POMALIDOMIDE

POMALIDOMIDE


ATC L04AX06

ANTINEOPLASTIC
THALIDOMIDE ANALOG
TREATMENT OF MULTIPLE MYELOMA
IMMUNOMODULATORY AGENT

ORAL

Cmax 0.27 MICROMOLAR

VD 100 LITER

PPB 28 PERCENT

Cl 8 LITER / HOUR

HT 9.5 HOUR

SOLUBILITY LOW SOLUBILITY IN WATER

PDB 4CI3 (STRUCTURE OF THE DDB1-CRBN E3 UBIQUITIN LIGASE BOUND TO POMALIDOMIDE)

LIGAND CODE = Y70 (link to the list of PDB complexes)

Download experimental 3D coordinates of Y70 with added hydrogens

PROTEIN CEREBLON Q96SW2 PROTEIN CEREBLON HOMO SAPIENS UNCLASSIFIEDEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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