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Compound Detail

CHEMBL4747663

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Cc1cc(Nc2cn(C)nc2C#N)c(=O)n2c1C(=O)NC21CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4747663
Phase Preclinical
Structure Type MOL
InChI Key PPHJYFQIILRUBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
1.87
ALogP
7
HBA
2
HBD
104.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N6O2
MW 352.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
30824167 10.1016/j.bmc.2019.02.007 MAP kinase-interacting serine/threonine-protein kinase 2 2
30824167 10.1016/j.bmc.2019.02.007 MAP kinase-interacting serine/threonine-protein kinase 1 2

Data from ChEMBL 36 via Core Engine