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Compound Detail

CHEMBL326853

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CCOC(=O)c1c(O)nc2ccccc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326853
Phase Preclinical
Structure Type MOL
InChI Key LGLPFJDOUVCBNP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

233.2
MW (Da)
1.82
ALogP
5
HBA
2
HBD
79.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO4
MW 233.22
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
8230129 10.1021/jm00074a020 Glutamate NMDA receptor 1
27499454 10.1016/j.bmcl.2016.07.070 Lysine-specific demethylase 5A 1

Data from ChEMBL 36 via Core Engine