Cheminformatic Tools and Databases for Pharmacology

session 76938 - Total of 2 hits - Display   hits per page:

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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 P43405ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 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
M FOSTAMATINIB (is 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

-

Cmax 1.17 MICROMOLAR

Tmax 1.5 HOUR

F 55 PERCENT

VD 256 LITER

PPB 98.3 PERCENT

HT 15 HOUR

TYROSINE KINASE SYK

PDB 3FQS (CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE COMPLEXED WITH R406)

LIGAND CODE = 585 (link to the list of PDB complexes)

Download experimental 3D coordinates of 585 with added hydrogens

Tyrosine-protein kinase SYK P43405 (KSYK_HUMAN)ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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