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Compound Detail

CHEMBL1775232

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O=S(=O)(N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1775232
Phase Preclinical
Structure Type MOL
InChI Key JDAJYPUWHXSOJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.8
MW (Da)
3.52
ALogP
5
HBA
1
HBD
75.2
PSA (Ų)
0.82
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 C16H16ClF3N4O2S
MW 420.84
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
21489792 10.1016/j.bmcl.2011.03.044 Inhibitor of nuclear factor kappa-B kinase subunit beta 2

Data from ChEMBL 36 via Core Engine