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Compound Detail

CHEMBL31902

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CC(NC/C=C\CP(=O)(O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL31902
Phase Preclinical
Structure Type MOL
InChI Key WQVQHQMFFXQXNP-IHWYPQMZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

223.2
MW (Da)
-0.22
ALogP
3
HBA
4
HBD
106.9
PSA (Ų)
0.37
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 C7H14NO5P
MW 223.16
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.25

Activity Summary

IC50 1 meas. best 4.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 4.37 4.37 42400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 42400.0 nM 4.37 Inhibitory activity evaluated by its ability to displace [3H]CPP from rat cortic... 1533423

Literature References

PubMed DOI Target Context # Activities
1533423 10.1021/jm00086a005 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine