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Compound Detail

CHEMBL206734

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NC(=O)c1c(N)nc2ccc(Cl)cc2c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL206734
Phase Preclinical
Structure Type MOL
InChI Key YAXZSSDXLBZGRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.8
MW (Da)
3.24
ALogP
3
HBA
2
HBD
82.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClN3O
MW 297.75
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
16686533 10.1021/jm0510979 Inhibitor of nuclear factor kappa-B kinase subunit beta 1

Data from ChEMBL 36 via Core Engine