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Compound Detail

CHEMBL43480

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CCC/C(=C\C(N)C(=O)O)CP(=O)(O)O

Basic Information

ChEMBL ID CHEMBL43480
Phase Preclinical
Structure Type MOL
InChI Key ZEFQYTSQDVUMEU-GQCTYLIASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.2
MW (Da)
0.30
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.39
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 C8H16NO5P
MW 237.19
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.95

Activity Summary

Ki 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 13.0 nM 7.89 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