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Compound Detail

CHEMBL401382

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COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL401382
Phase Preclinical
Structure Type MOL
InChI Key BRURZQDAVZLHSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.6
MW (Da)
4.14
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11BrClNO3
MW 368.61
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
17197180 10.1016/j.bmcl.2006.12.038 NON-PROTEIN TARGET 4

Data from ChEMBL 36 via Core Engine