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Compound Detail

CHEMBL173787

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CCn1c(=O)n(CC)c2cc(-c3nnnn3-c3ccc(F)c(C)c3)ccc21

Basic Information

ChEMBL ID CHEMBL173787
Phase Preclinical
Structure Type MOL
InChI Key OPUUNQCCYCLCPC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
2.93
ALogP
7
HBA
0
HBD
70.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19FN6O
MW 366.40
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.35

Literature References

PubMed DOI Target Context # Activities
15012994 10.1016/j.bmcl.2003.12.023 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine