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Compound Detail

CHEMBL3590257

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CC[C@@H](C)C(=O)c1c(O)cc(O)cc1CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3590257
Phase Preclinical
Structure Type MOL
InChI Key BRGRPPOWHVHYLR-SSDOTTSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
1.95
ALogP
4
HBA
3
HBD
94.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16O5
MW 252.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.41

Literature References

PubMed DOI Target Context # Activities
25981688 10.1016/j.bmcl.2015.04.094 Saccharomyces cerevisiae 2
25981688 10.1016/j.bmcl.2015.04.094 Staphylococcus aureus 2
25981688 10.1016/j.bmcl.2015.04.094 Bacillus subtilis 2
25981688 10.1016/j.bmcl.2015.04.094 Candida albicans 2
25981688 10.1016/j.bmcl.2015.04.094 A549 1
25981688 10.1016/j.bmcl.2015.04.094 SK-OV-3 1
25981688 10.1016/j.bmcl.2015.04.094 SK-MEL-2 1
25981688 10.1016/j.bmcl.2015.04.094 HCT-15 1

Data from ChEMBL 36 via Core Engine