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Compound Detail

CHEMBL3343845

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COC(=O)C12CC3CC(CC(N)(C3)C1)C2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3343845
Phase Preclinical
Structure Type MOL
InChI Key GMXYKQPNBFHSEJ-UHFFFAOYSA-N
Parent Compound CHEMBL3545832
Active Moiety CHEMBL3545832
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

209.3
MW (Da)
1.46
ALogP
3
HBA
1
HBD
52.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20ClNO2
MW 245.75
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.30

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