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Compound Detail

CHEMBL556212

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Cn1c(=O)cc(NC2CCOCC2)c2cnn(-c3cccc(F)c3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL556212
Phase Preclinical
Structure Type MOL
InChI Key RVTIRLCVEXFDEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.45
ALogP
6
HBA
1
HBD
61.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19FN4O2
MW 342.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
19574047 10.1016/j.bmcl.2009.06.058 Mitogen-activated protein kinase 14 1
19574047 10.1016/j.bmcl.2009.06.058 THP-1 1
19574047 10.1016/j.bmcl.2009.06.058 Blood 1

Data from ChEMBL 36 via Core Engine