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Compound Detail

CHEMBL231521

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NC(=O)c1cc(-c2ccc(F)cc2)ccc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL231521
Phase Preclinical
Structure Type MOL
InChI Key DGBJOLUYPDVPFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
2.17
ALogP
2
HBA
2
HBD
69.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11FN2O
MW 230.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
17502144 10.1016/j.bmcl.2007.04.088 Inhibitor of nuclear factor kappa-B kinase subunit alpha 1
17502144 10.1016/j.bmcl.2007.04.088 Inhibitor of nuclear factor kappa-B kinase subunit beta 1
17502144 10.1016/j.bmcl.2007.04.088 Inhibitor of nuclear factor kappa-B kinase subunit epsilon 1

Data from ChEMBL 36 via Core Engine