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Compound Detail

CHEMBL392065

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N#Cc1c(-c2cc(-c3ccccc3)ccc2Cl)cc(-c2cc(Br)ccc2O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL392065
Phase Preclinical
Structure Type MOL
InChI Key MLWSADJBOPYABB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.8
MW (Da)
6.37
ALogP
3
HBA
2
HBD
76.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H14BrClN2O2
MW 477.75
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
17391963 10.1016/j.bmcl.2007.03.042 Baculoviral IAP repeat-containing protein 5 1

Data from ChEMBL 36 via Core Engine