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
FOSTAMATINIB (has an active metabolite)

FOSTAMATINIB


ATC B02BX09

ANTINEOPLASTIC
TYROSINE KINASE SYK INHIBITOR
INDICATED FOR THE TREATMENT OF THROMBOCYTOPENIA IN ADULT PATIENTS WITH CHRONIC IMMUNE THROMBOCYTOPENIA
METABOLIZED IN THE GUT BY ALKALINE PHOSPHATASE

ORAL

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

PHOSPHATASE

PDB 4O75 (CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH FOSTAMATINIB)

LIGAND CODE = 2RC (link to the list of PDB complexes)

Download experimental 3D coordinates of 2RC with added hydrogens

Tyrosine-protein kinase SYK P43405EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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