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Compound Detail

CHEMBL3343846

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O=C(CN1Cc2ccccc2C1=O)NC12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3343846
Phase Preclinical
Structure Type MOL
InChI Key KFEAAVDNNHTWHD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
2.73
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.93
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 C20H24N2O2
MW 324.42
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.78

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25282649 10.1016/j.bmc.2014.09.011 Staphylococcus aureus 1
25282649 10.1016/j.bmc.2014.09.011 Staphylococcus epidermidis 1
25282649 10.1016/j.bmc.2014.09.011 Escherichia coli 1
25282649 10.1016/j.bmc.2014.09.011 ADMET 1
25282649 10.1016/j.bmc.2014.09.011 Sortase A 1

Data from ChEMBL 36 via Core Engine