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Compound Detail

CHEMBL3585715

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O=C1O/C(=C\c2ccc(O)cc2)C(c2ccc(O)cc2)=C1C(=O)c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3585715
Phase Preclinical
Structure Type MOL
InChI Key XLGUNELUCDMZRL-PDGQHHTCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.93
ALogP
6
HBA
2
HBD
97.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14O6
MW 374.35
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
25913865 10.1016/j.bmc.2015.04.010 Escherichia coli 2
25913865 10.1016/j.bmc.2015.04.010 Salmonella typhi 1
25913865 10.1016/j.bmc.2015.04.010 Enterococcus faecalis 1
25913865 10.1016/j.bmc.2015.04.010 Staphylococcus aureus 1
25913865 10.1016/j.bmc.2015.04.010 Bacillus cereus 1
25913865 10.1016/j.bmc.2015.04.010 Pectobacterium carotovorum 1
25913865 10.1016/j.bmc.2015.04.010 Bacillus subtilis 1

Data from ChEMBL 36 via Core Engine