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Compound Detail

CHEMBL3883439

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CCCC(O)CC(=O)CCc1ccc(O)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3883439
Phase Preclinical
Structure Type MOL
InChI Key GDRKZARFCIYVCI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
2.45
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22O4
MW 266.34
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.51

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
32696644 10.1021/acs.jmedchem.0c00630 HTH-type quorum-sensing regulator RhlR 5
28065501 10.1016/j.bmc.2016.12.048 NON-PROTEIN TARGET 3
28065501 10.1016/j.bmc.2016.12.048 Leukotriene A-4 hydrolase 2
29135250 10.1021/acs.jmedchem.7b01426 Unchecked 2
32696644 10.1021/acs.jmedchem.0c00630 Transcriptional activator protein LasR 2
32696644 10.1021/acs.jmedchem.0c00630 Transcriptional regulator MvfR 2
28065501 10.1016/j.bmc.2016.12.048 HCT-116 1
32696644 10.1021/acs.jmedchem.0c00630 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine