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Compound Detail

CHEMBL3343200

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OC(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc(Br)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3343200
Phase Preclinical
Structure Type MOL
InChI Key JBOWFXLCZJFTBF-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

450.4
MW (Da)
5.64
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28BrNO
MW 450.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.63

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
25238555 10.1021/jm5010682 Staphylococcus aureus 1
25238555 10.1021/jm5010682 DNA gyrase 1
25238555 10.1021/jm5010682 Unchecked 1

Data from ChEMBL 36 via Core Engine