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Compound Detail

CHEMBL231126

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COc1c(C(N)=O)cc(-c2ccncc2)cc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL231126
Phase Preclinical
Structure Type MOL
InChI Key CAVZKMMEPFAEIZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.52
ALogP
3
HBA
1
HBD
65.2
PSA (Ų)
0.80
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 C19H16N2O2
MW 304.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.29

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