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Compound Detail

CHEMBL490813

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CNc1ccccc1C(=O)OC12C3C4CC5C6C4C1C6C1(OCCCN12)C53
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490813
Phase Preclinical
Structure Type MOL
InChI Key DEVSVQLQYSWGQG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
2.40
ALogP
5
HBA
1
HBD
50.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O3
MW 364.44
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.56

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21868136 10.1016/j.ejmech.2011.08.008 Unchecked 2
18805011 10.1016/j.bmc.2008.08.049 Unchecked 1
21868136 10.1016/j.ejmech.2011.08.008 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine