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Compound Detail

CHEMBL60181

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N[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2ccc3ccccc3c2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL60181
Phase Preclinical
Structure Type MOL
InChI Key GOPXMKDIVJBBQF-IBGZPJMESA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
3.14
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.48
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 C20H20NO5P
MW 385.36
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.37

Activity Summary

IC50 2 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 7.92 7.885 12.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 12.0 nM 7.92 Inhibition of receptor binding affinity in rat brain synaptosomal membrane was d... 7783127
Glutamate NMDA receptor IC50 = 14.0 nM 7.85 Inhibition of NMDA receptor binding affinity in rat brain synaptosomal membrane ... 7783127

Literature References

PubMed DOI Target Context # Activities
7783127 10.1021/jm00011a015 Mus musculus 12
7783127 10.1021/jm00011a015 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine