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Compound Detail

CHEMBL474783

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COc1cc(/C=N/NC(=O)Cn2nnnc2N)ccc1OCc1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL474783
Phase Preclinical
Structure Type MOL
InChI Key JYNYRJRPYFUDIN-GZIVZEMBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.3
MW (Da)
2.30
ALogP
9
HBA
2
HBD
129.5
PSA (Ų)
0.40
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 C18H17Cl2N7O3
MW 450.29
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.19

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