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Compound Detail

CHEMBL1775223

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O=S(=O)(c1ccc(F)cc1)N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1775223
Phase Preclinical
Structure Type MOL
InChI Key HUIGMETTZFIGJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.9
MW (Da)
4.20
ALogP
5
HBA
1
HBD
75.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20ClFN4O2S
MW 446.94
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.06

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