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Compound Detail

CHEMBL3289114

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COc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3289114
Phase Preclinical
Structure Type MOL
InChI Key JEYDRCKHKAQDDS-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
2.62
ALogP
5
HBA
1
HBD
73.4
PSA (Ų)
0.80
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 C17H16N2O4
MW 312.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.44

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
24844756 10.1016/j.bmc.2014.04.039 Beta-glucuronidase 1
24844756 10.1016/j.bmc.2014.04.039 PC-3 1
26552899 10.1016/j.bmc.2015.10.038 Unchecked 1
37043994 10.1016/j.ejmech.2023.115346 Acetylcholinesterase 1
37043994 10.1016/j.ejmech.2023.115346 Cholinesterase 1

Data from ChEMBL 36 via Core Engine