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Compound Detail

CHEMBL3342834

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CC(C)(C)c1ccc(NCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3342834
Phase Preclinical
Structure Type MOL
InChI Key GUBZFXLOHJBOHW-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

456.7
MW (Da)
6.43
ALogP
3
HBA
2
HBD
35.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H40N2O
MW 456.67
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.89

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