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 UNCLASSIFIEDANSM (in French)

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ChEMBL
BindingDB
DrugBank



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