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Compound Detail

CHEMBL3746616

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CCCCCCCCC(CCCCCCCCC(=O)OC)SCC(=O)N[C@@H](CC(C)C)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3746616
Phase Preclinical
Structure Type MOL
InChI Key CPOFZFRDBDAXQY-BBMPLOMVSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

515.8
MW (Da)
6.84
ALogP
6
HBA
1
HBD
81.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H53NO5S
MW 515.80
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness -0.07

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
26586599 10.1016/j.bmcl.2015.10.086 Staphylococcus aureus 2
26586599 10.1016/j.bmcl.2015.10.086 Raoultella planticola 1
26586599 10.1016/j.bmcl.2015.10.086 Candida albicans 1
26586599 10.1016/j.bmcl.2015.10.086 Pseudomonas aeruginosa 1
26586599 10.1016/j.bmcl.2015.10.086 Escherichia coli 1
26586599 10.1016/j.bmcl.2015.10.086 Bacillus subtilis 1
26586599 10.1016/j.bmcl.2015.10.086 Micrococcus luteus 1
26586599 10.1016/j.bmcl.2015.10.086 NON-PROTEIN TARGET 1
26586599 10.1016/j.bmcl.2015.10.086 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine