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Compound Detail

CHEMBL282656

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

Basic Information

ChEMBL ID CHEMBL282656
Phase Preclinical
Structure Type MOL
InChI Key NXTJMIIQUAYQDI-YFBHCESUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.2
MW (Da)
-1.02
ALogP
4
HBA
5
HBD
127.1
PSA (Ų)
0.41
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 C8H16NO6P
MW 253.19
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.03

Activity Summary

Ki 1 meas. best 6.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 6.97 6.97 106.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 106.0 nM 6.97 The compound was tested for NMDA antagonist activity against [3H]-CGS- 19755 bin... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80223-1 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine