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Compound Detail

CHEMBL298242

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NC(Cc1cc2ccccc2cc1CP(=O)(O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL298242
Phase Preclinical
Structure Type MOL
InChI Key MLRLKRRPFPNIEO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
1.47
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.62
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 C14H16NO5P
MW 309.26
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.42

Activity Summary

Ki 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 140.0 nM 6.85 Binding affinity to the glutamate site of the NMDA receptor was measured by comp... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00288-0 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine