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Compound Detail

CHEMBL1814446

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COc1ccc(/C=C2\Oc3cc(O)cc(O)c3C2=O)c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814446
Phase Preclinical
Structure Type MOL
InChI Key UNPBOAAVAXALHN-NSIKDUERSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

344.3
MW (Da)
2.74
ALogP
7
HBA
2
HBD
94.5
PSA (Ų)
0.82
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 C18H16O7
MW 344.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.60

Literature References

PubMed DOI Target Context # Activities
21699179 10.1021/jm200242p Unchecked 2
38109811 10.1016/j.bmc.2023.117559 Unchecked 2
21699179 10.1021/jm200242p Huh-7 1
21699179 10.1021/jm200242p HEK293 1
38109811 10.1016/j.bmc.2023.117559 Metallo-beta-lactamase type 2 1

Data from ChEMBL 36 via Core Engine