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Compound Detail

CHEMBL282983

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O=C(O)CCCN1CCN[C@@H](C(=O)O)C1

Basic Information

ChEMBL ID CHEMBL282983
Phase Preclinical
Structure Type MOL
InChI Key SUBPBOVIYZLZKW-SSDOTTSWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
-0.79
ALogP
4
HBA
3
HBD
89.9
PSA (Ų)
0.56
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 C9H16N2O4
MW 216.24
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness -0.22

Activity Summary

IC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.1 6.1 790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 790.0 nM 6.1 Ability to displace [3H]CPP from NMDA receptor in rat brain membrane 1533422

Literature References

PubMed DOI Target Context # Activities
1533422 10.1021/jm00086a004 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine