Cheminformatic Tools and Databases for Pharmacology

session 59372 - 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
M MOMELOTINIB (is an active metabolite)

MOMELOTINIB


ATC MOMELOTINIB

ANTINEOPLASTIC
TREATMENT OF MYELOFIBROSIS
JANUS KINASE 1 AND 2 (JAK1/JAK2) INHIBITOR AND AND MUTANT JAK2V617F

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HT 6 HOUR

JANUS KINASE 1 AND 2 (JAK1/JAK2)

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more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
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
MOMELOTINIB (has an active metabolite)

MOMELOTINIB


ATC MOMELOTINIB

ANTINEOPLASTIC
TREATMENT OF MYELOFIBROSIS
JANUS KINASE 1 AND 2 (JAK1/JAK2) INHIBITOR AND AND MUTANT JAK2V617F

ORAL

Cmax 1.15 MICROMOLAR

Tmax 2 HOUR

VD 984 LITER

PPB 91 PERCENT

Cl 103 LITER / HOUR

HT 6 HOUR

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

JANUS KINASE 1 AND 2 (JAK1/JAK2)

PDB 8BXH (CRYSTAL STRUCTURE OF JAK2 JH1 IN COMPLEX WITH MOMELOTINIB)

LIGAND CODE = C87 (link to the list of PDB complexes)

Download experimental 3D coordinates of C87 with added hydrogens

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more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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