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Compound Detail

CHEMBL3263554

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CCCCOc1ccc(/C=C2\Oc3cc(O)cc(O)c3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3263554
Phase Preclinical
Structure Type MOL
InChI Key JWNAIOUAGFIWOQ-MFOYZWKCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
3.89
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.64
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 C19H18O5
MW 326.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.41

Literature References

PubMed DOI Target Context # Activities
24835816 10.1016/j.ejmech.2014.04.005 Unchecked 2
38109811 10.1016/j.bmc.2023.117559 Unchecked 2
38109811 10.1016/j.bmc.2023.117559 Metallo-beta-lactamase type 2 1

Data from ChEMBL 36 via Core Engine