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Compound Detail

CHEMBL2382057

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COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2382057
Phase Preclinical
Structure Type MOL
InChI Key KTDRYXACAFZEBC-KRXBUXKQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

335.2
MW (Da)
4.49
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12BrFO2
MW 335.17
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
23608763 10.1016/j.bmcl.2013.03.106 DNA topoisomerase 2-alpha 2
23608763 10.1016/j.bmcl.2013.03.106 DNA topoisomerase 1 2
23608763 10.1016/j.bmcl.2013.03.106 SNU-638 1
23608763 10.1016/j.bmcl.2013.03.106 T47D 1
23608763 10.1016/j.bmcl.2013.03.106 Procathepsin L 1
23608763 10.1016/j.bmcl.2013.03.106 Cathepsin B 1

Data from ChEMBL 36 via Core Engine