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Compound Detail

CHEMBL282119

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NC(C(=O)O)c1ccc(CP(=O)(O)O)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL282119
Phase Preclinical
Structure Type MOL
InChI Key NQWFSUKHKQYWNW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.2
MW (Da)
1.60
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14NO5P
MW 295.23
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.22

Activity Summary

IC50 1 meas. best 4.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 4.13 4.13 74000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 74000.0 nM 4.13 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