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Compound Detail

CHEMBL65631

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O=C(O)C1CC2CC(CP(=O)(O)O)CCC2CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL65631
Phase Preclinical
Structure Type MOL
InChI Key STIRHCNEGQQBOY-UHFFFAOYSA-N
2
Targets
10
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
0.64
ALogP
3
HBA
4
HBD
106.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H20NO5P
MW 277.26
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.18

Activity Summary

IC50 10 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 7.6 6.21 25.0 6
Rattus norvegicus
CHEMBL376
 IC50 6.82 5.9325 150.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 25.0 nM 7.6 Inhibition of [3H]-CGS- 19755 binding to rat brain membrane NMDA receptor -
Glutamate NMDA receptor IC50 = 55.0 nM 7.26 Inhibition of [3H]-CGS- 19755 binding to rat brain membrane NMDA receptor -
Rattus norvegicus IC50 = 150.0 nM 6.82 Compound was tested for relative potency as NMDA antagonist by determining its a... -
Rattus norvegicus IC50 = 220.0 nM 6.66 Compound was tested for relative potency as NMDA antagonist by determining its a... -
Glutamate NMDA receptor IC50 = 670.0 nM 6.17 Inhibition of [3H]-CGS- 19755 binding to rat brain membrane NMDA receptor -
Glutamate NMDA receptor IC50 = 820.0 nM 6.09 Inhibition of [3H]-CGS- 19755 binding to rat brain membrane NMDA receptor -
Rattus norvegicus IC50 = 1700.0 nM 5.77 Compound was tested for relative potency as NMDA antagonist by determining its a... -
Glutamate NMDA receptor IC50 = 8400.0 nM 5.08 Inhibition of [3H]-CGS- 19755 binding to rat brain membrane NMDA receptor -
Glutamate NMDA receptor IC50 = 8700.0 nM 5.06 Inhibition of [3H]-CGS- 19755 binding to rat brain membrane NMDA receptor -
Rattus norvegicus IC50 = 33000.0 nM 4.48 Compound was tested for relative potency as NMDA antagonist by determining its a... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81017-9 Glutamate NMDA receptor 6
- 10.1016/S0960-894X(01)81017-9 Rattus norvegicus 6
- 10.1016/S0960-894X(01)81017-9 Mus musculus 6
1404235 10.1021/jm00097a012 Glutamate NMDA receptor 1
1404235 10.1021/jm00097a012 Unchecked 1
1404235 10.1021/jm00097a012 Mus musculus 1

Data from ChEMBL 36 via Core Engine