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Compound Detail

CHEMBL8811

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CCCCCCCCCC(=O)CC(=O)NC1CCSC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8811
Phase Preclinical
Structure Type MOL
InChI Key DTKPMZLHSRTKNJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

313.5
MW (Da)
3.23
ALogP
4
HBA
1
HBD
63.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27NO3S
MW 313.46
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.04

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21798746 10.1016/j.bmc.2011.06.071 Transcriptional activator protein LuxR 2
21798746 10.1016/j.bmc.2011.06.071 Transcriptional activator protein TraR 2
21798746 10.1016/j.bmc.2011.06.071 Transcriptional activator protein LasR 2
21798746 10.1016/j.bmc.2011.06.071 Unchecked 2
12502363 10.1021/jm020909n Mus musculus 1
21798746 10.1016/j.bmc.2011.06.071 Pseudomonas aeruginosa 1
21798746 10.1016/j.bmc.2011.06.071 Escherichia coli 1
21798746 10.1016/j.bmc.2011.06.071 Aliivibrio fischeri 1
21798746 10.1016/j.bmc.2011.06.071 Agrobacterium tumefaciens 1

Data from ChEMBL 36 via Core Engine