e-Drug3D
2095
cas 1056634-68-4
CLASS
ANTINEOPLASTIC
TREATMENT OF MYELOFIBROSIS
JANUS KINASE 1 AND 2 (JAK1/JAK2) INHIBITOR AND AND MUTANT JAK2V617F
ROUTE (list)
ORAL
ATC code
MOMELOTINIB
PK parameters
Tmax 2 HOUR
VD 984 LITER
Cl 103 LITER / HOUR
PPB 91 PERCENT
t1/2 6 HOUR
Solubility
SLIGHTLY SOLUBLE IN WATER
TARGET 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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Formula:
C23H22N6O2
Calculated chemical properties:
MW 414.47
NB_atoms 31
XLogP 2.98
PSA 93.066
NB_HD 2
NB_HA 8
fsp3 0.22
Lipinski(0=no;1=yes) 1
NB_atoms 31
XLogP 2.98
PSA 93.066
NB_HD 2
NB_HA 8
fsp3 0.22
Lipinski(0=no;1=yes) 1
e-Drug3D
2096
cas 1841094-23-2
CLASS
ANTINEOPLASTIC
TREATMENT OF MYELOFIBROSIS
JANUS KINASE 1 AND 2 (JAK1/JAK2) INHIBITOR AND AND MUTANT JAK2V617F
ROUTE (list)
-
ATC code
MOMELOTINIB
PK parameters
t1/2 6 HOUR
TARGET JANUS KINASE 1 AND 2 (JAK1/JAK2)
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Formula:
C23H20N6O3
Calculated chemical properties:
MW 428.45
NB_atoms 32
XLogP 2.50
PSA 106.562
NB_HD 2
NB_HA 9
fsp3 0.17
Lipinski(0=no;1=yes) 1
NB_atoms 32
XLogP 2.50
PSA 106.562
NB_HD 2
NB_HA 9
fsp3 0.17
Lipinski(0=no;1=yes) 1
FDA
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