Compound Detail
CHEMBL290738
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Basic Information
| ChEMBL ID | CHEMBL290738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPMYRXGASZVFJC-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
414.3
MW (Da)
2.97
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.62
Ki 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.62 | 6.695 | 24.0 | 2 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 2.6 | nM | 8.59 | Affinity for the glycine binding site of NMDA receptor by inhibition of [3H]5,7-... | 7966156 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 2.6 | nM | 8.59 | Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dich... | - |
| Glutamate [NMDA] receptor | Ki | = | 2.6 | nM | 8.59 | Displacement of [3H]DCKA from NMDA receptor (unknown origin) | 34998058 |
| Glutamate NMDA receptor | IC50 | = | 24.0 | nM | 7.62 | Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate rece... | 9406596 |
| Glutamate NMDA receptor | IC50 | = | 1700.0 | nM | 5.77 | The compound was tested for its affinity for the glutamic acid binding site of t... | 7966156 |
| Unchecked | IC50 | = | 4600.0 | nM | 5.34 | The compound was tested for its affinity for the glutamic acid binding site of t... | 7966156 |
| Glutamate [NMDA] receptor | IC50 | = | 4600.0 | nM | 5.34 | Displacement of [3H]AMPA from NMDA receptor (unknown origin) | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966156 | 10.1021/jm00049a015 | Glutamate NMDA receptor | 4 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate [NMDA] receptor | 4 |
| 7966156 | 10.1021/jm00049a015 | Unchecked | 2 |
| - | 10.1016/0960-894X(95)00244-N | Glutamate receptor ionotropic, NMDA 1 | 2 |
| 9406596 | 10.1021/jm970417o | Albumin | 1 |
| 9406596 | 10.1021/jm970417o | Glutamate NMDA receptor | 1 |
| 9406596 | 10.1021/jm970417o | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine