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Compound Detail

CHEMBL37852

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O=C(O)[C@H]1NCCC[C@H]1CCP(=O)(O)O

Basic Information

ChEMBL ID CHEMBL37852
Phase Preclinical
Structure Type MOL
InChI Key BXHSRBVKVNKLFZ-BQBZGAKWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

237.2
MW (Da)
0.01
ALogP
3
HBA
4
HBD
106.9
PSA (Ų)
0.51
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 C8H16NO5P
MW 237.19
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.88

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1000.0 nM 6.0 Compound was evaluated for the inhibition of the binding of [3H]-CPP against NMD... 2539478

Literature References

PubMed DOI Target Context # Activities
1533680 10.1021/jm00087a002 Glutamate NMDA receptor 1
2539478 10.1021/jm00124a015 Unchecked 1
2539478 10.1021/jm00124a015 Mus musculus 1

Data from ChEMBL 36 via Core Engine