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Compound Detail

CHEMBL1775237

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COc1ccc(C(=O)N2CCC(Nc3nccc(-c4ccc(Cl)cc4)n3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1775237
Phase Preclinical
Structure Type MOL
InChI Key FTPWDSDBQWTJAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
4.52
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.65
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 C23H23ClN4O2
MW 422.92
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.50

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