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Compound Detail

CHEMBL3342820

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OC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3342820
Phase Preclinical
Structure Type MOL
InChI Key CNMVGPFXCNHQTM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

450.0
MW (Da)
5.80
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.46
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 C28H32ClNO2
MW 450.02
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.52

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine