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Compound Detail

CHEMBL28838

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O=C(O)C1CN(C2CCC(P(=O)(O)O)C2)CCN1

Basic Information

ChEMBL ID CHEMBL28838
Phase Preclinical
Structure Type MOL
InChI Key VUXVLJBCOFWJFR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.2
MW (Da)
-0.56
ALogP
4
HBA
4
HBD
110.1
PSA (Ų)
0.51
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 C10H19N2O5P
MW 278.25
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.20

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 1600.0 nM 5.8 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