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Compound Detail

CHEMBL5400587

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COc1cc(O)ccc1/C=C1\Oc2cc(O)ccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400587
Phase Preclinical
Structure Type MOL
InChI Key LWHMSOZJLPKQSA-UUASQNMZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.72
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O5
MW 284.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
38109811 10.1016/j.bmc.2023.117559 Unchecked 2
36462443 10.1016/j.ejmech.2022.114972 Tyrosinase 1
38109811 10.1016/j.bmc.2023.117559 Metallo-beta-lactamase type 2 1

Data from ChEMBL 36 via Core Engine