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Compound Detail

CHEMBL483816

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COc1ccc(-n2nnnc2SCC(=O)N/N=C/c2c[nH]nc2-c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483816
Phase Preclinical
Structure Type MOL
InChI Key HKSKUJJOIGCHMW-LSHDLFTRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
2.44
ALogP
9
HBA
2
HBD
123.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17FN8O2S
MW 452.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -2.90

Literature References

PubMed DOI Target Context # Activities
19285872 10.1016/j.bmc.2009.02.041 Inhibitor of nuclear factor kappa-B kinase subunit beta 2

Data from ChEMBL 36 via Core Engine