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Compound Detail

CHEMBL230810

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CN(C)c1cccc(-c2cc(-c3ccccc3)cc(C(N)=O)c2N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230810
Phase Preclinical
Structure Type MOL
InChI Key BECURVMRNVRADE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
3.77
ALogP
3
HBA
2
HBD
72.3
PSA (Ų)
0.71
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 C21H21N3O
MW 331.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.55

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