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Compound Detail

CHEMBL283819

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C[C@@H]1CN(O)C(=O)[C@@H]1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL283819
Phase Preclinical
Structure Type MOL
InChI Key SKYSFPFYQBZGDC-QWWZWVQMSA-N
4
Targets
11
Activities
3
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

130.2
MW (Da)
-0.82
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H10N2O2
MW 130.15
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.76

Activity Summary

IC50 6 meas. best 5.92
Ki 3 meas. best 6.19
EC50 2 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 Ki 6.19 6.04 650.0 2
Glutamate receptor ionotropic, NMDA 2C
CHEMBL401
 Ki 6.19 6.19 650.0 1
Glutamate NMDA receptor
CHEMBL1907608
 IC50 5.92 5.78 1200.0 3
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
 IC50 5.85 5.7067 1400.0 3
Glutamate NMDA receptor
CHEMBL1907608
 EC50 5.02 5.02 9500.0 1
Rattus norvegicus
CHEMBL376
 EC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 650.0 nM 6.19 Tested in vitro for the inhibitory constant of glycine (0.3 uM) responses in iso... -
Glutamate receptor ionotropic, NMDA 2C Ki = 650.0 nM 6.19 Compound was evaluated for in vitro inhibition of cortical neuron at NMDA recept... 7990104
Glutamate NMDA receptor IC50 = 1200.0 nM 5.92 Binding affinity at glycine binding site of NMDA receptor in rat cortical membra... 11384240
Rattus norvegicus Ki = 1300.0 nM 5.89 In vitro inhibitory activity of glycine (0.3 uM) responses in isolated cultured ... -
Glutamate receptor ionotropic, NMDA 1 IC50 = 1400.0 nM 5.85 Inhibition of [3H]glycine binding to rat cortical membranes -
Glutamate NMDA receptor IC50 = 1400.0 nM 5.85 In vitro inhibition of [3H]glycine at NMDA receptor 7990104
Glutamate receptor ionotropic, NMDA 1 IC50 = 1870.0 nM 5.73 In vitro inhibitory activity to inhibit [3H]glycine binding to NMDA receptor 10360746
Glutamate NMDA receptor IC50 = 2700.0 nM 5.57 Displacement of [3H]L-689,560 from NMDA receptor glycine site of rat brain membr... -
Glutamate receptor ionotropic, NMDA 1 IC50 = 2900.0 nM 5.54 Inhibition of [3H]glycine binding to rat cortical membranes -
Glutamate NMDA receptor EC50 = 9500.0 nM 5.02 In vitro concentration eliciting half-maximal effect on [3H]-MK 801 radioligand ... 10360746
Rattus norvegicus EC50 = 16000.0 nM 4.8 Inhibition of NMDA-induced depolarizations in rat cortical wedges. 11384240

Literature References

PubMed DOI Target Context # Activities
7990104 10.1021/jm00050a001 Mus musculus 6
- 10.1016/S0960-894X(00)80094-3 Glutamate receptor ionotropic, NMDA 1 2
- 10.1016/S0960-894X(00)80094-3 Rattus norvegicus 2
- 10.1016/S0960-894X(00)80094-3 No relevant target 2
7990104 10.1021/jm00050a001 Glutamate NMDA receptor 2
11384240 10.1021/jm001124p Mus musculus 2
10360746 10.1016/s0960-894x(99)00194-8 Glutamate receptor ionotropic, NMDA 1 1
10360746 10.1016/s0960-894x(99)00194-8 Glutamate NMDA receptor 1
10360746 10.1016/s0960-894x(99)00194-8 Unchecked 1
7990104 10.1021/jm00050a001 Glutamate receptor ionotropic, NMDA 2C 1
- 10.1016/S0960-894X(01)80897-0 Glutamate NMDA receptor 1
- 10.1016/S0960-894X(01)80897-0 Rattus norvegicus 1
11384240 10.1021/jm001124p Glutamate NMDA receptor 1
11384240 10.1021/jm001124p Rattus norvegicus 1
19642674 10.1021/jm900363q Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine