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Compound Detail

CHEMBL340085

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NC(C[C@@H]1CCCC[C@H]1CCP(=O)(O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340085
Phase Preclinical
Structure Type MOL
InChI Key DHJQWBSZKBDBFP-XMCUXHSSSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
1.16
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H22NO5P
MW 279.27
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.13

Activity Summary

IC50 2 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 5.39 4.97 4050.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 4050.0 nM 5.39 Tested for the ability to inhibit the specific binding of [3H]-CGS- 19755 to NMD... -
Glutamate NMDA receptor IC50 = 28000.0 nM 4.55 Tested for the ability to inhibit the specific binding of [3H]-CGS- 19755 to NMD... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80087-6 Mus musculus 4
- 10.1016/S0960-894X(00)80087-6 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine