Compound Detail
CHEMBL29757
D-ASPARTATE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL29757 |
| Name | D-ASPARTATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | CKLJMWTZIZZHCS-UWTATZPHSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
8
Publications
2
Known Names
2
Indications
Molecular Properties
133.1
MW (Da)
-1.13
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Unknown |
Indications
Multiple Sclerosis, Relapsing-Remitting Brain Injuries
Activity Summary
Kd 2 meas. best 8.05
EC50 1 meas.
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 8.05 | 8.05 | 9.0 | 1 |
| Glutamate transporter homolog CHEMBL4296295 | Kd | 8.0 | 8.0 | 10.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 9.0 | nM | 8.05 | Binding affinity to Pyrococcus horikoshii sodium-coupled aspartate transporter | 17230192 |
| Glutamate transporter homolog | Kd | = | 10.0 | nM | 8.0 | Binding affinity to Pyrococcus horikoshii sodium-coupled aspartate transporter L... | 17230192 |
| Glutamate NMDA receptor | IC50 | = | 10000.0 | nM | 5.0 | Displacement of [3H]CPP from N-methyl-D-aspartate glutamate receptor in rat brai... | 1533422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1671706 | 10.1021/jm00106a037 | Rattus norvegicus | 1 |
| 8759641 | 10.1021/jm9602569 | Metabotropic glutamate receptor 1 | 1 |
| 8759641 | 10.1021/jm9602569 | Metabotropic glutamate receptor 2 | 1 |
| 8759641 | 10.1021/jm9602569 | Metabotropic glutamate receptor 6 | 1 |
| 1533422 | 10.1021/jm00086a004 | Glutamate NMDA receptor | 1 |
| 17230192 | 10.1038/nature05455 | Glutamate transporter homolog | 1 |
| 17230192 | 10.1038/nature05455 | Unchecked | 1 |
| 35677430 | 10.3389/fphar.2022.872335 | Excitatory amino acid transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine