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Compound Detail

CHEMBL284880

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N/C(=N\CC(=O)O)c1cccc(CP(=O)(O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL284880
Phase Preclinical
Structure Type MOL
InChI Key HLMKLGWHXQKTJK-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

272.2
MW (Da)
0.15
ALogP
3
HBA
4
HBD
133.2
PSA (Ų)
0.34
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 C10H13N2O5P
MW 272.20
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.17

Activity Summary

IC50 2 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 18000.0 nM 4.75 Inhibitory activity evaluated by its ability to displace [3H]CPP from N-methyl-D... 1533423

Literature References

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

Data from ChEMBL 36 via Core Engine