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Compound Detail

CHEMBL1269461

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Oc1ccc(COCc2ccc(O)c(O)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1269461
Phase Preclinical
Structure Type MOL
InChI Key HTWCGNPZDSRJRF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
2.23
ALogP
5
HBA
4
HBD
90.2
PSA (Ų)
0.63
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 C14H14O5
MW 262.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
20888765 10.1016/j.bmcl.2010.09.015 Isocitrate lyase 1
20888765 10.1016/j.bmcl.2010.09.015 Staphylococcus aureus 1
20888765 10.1016/j.bmcl.2010.09.015 Bacillus subtilis 1
20888765 10.1016/j.bmcl.2010.09.015 Micrococcus luteus 1
20888765 10.1016/j.bmcl.2010.09.015 Proteus vulgaris 1
20888765 10.1016/j.bmcl.2010.09.015 Salmonella typhimurium 1
20888765 10.1016/j.bmcl.2010.09.015 Candida albicans 1
20888765 10.1016/j.bmcl.2010.09.015 Aspergillus fumigatus 1
20888765 10.1016/j.bmcl.2010.09.015 Trichophyton rubrum 1
20888765 10.1016/j.bmcl.2010.09.015 Trichophyton mentagrophytes 1

Data from ChEMBL 36 via Core Engine