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Compound Detail

CHEMBL3263919

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CCCCn1cc(/C=C2\Oc3cc(O)cc(O)c3C2=O)c2cc(O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3263919
Phase Preclinical
Structure Type MOL
InChI Key LWJRQBDWEWDWMI-GXHLCREISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
4.17
ALogP
6
HBA
3
HBD
91.9
PSA (Ų)
0.60
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 C21H19NO5
MW 365.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.08

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