Compound Detail
CHEMBL118969
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Basic Information
| ChEMBL ID | CHEMBL118969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNRAWMBUHCSCSX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
3.55
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 43.0 | nM | 7.37 | Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/... | 9719603 |
| Glutamate NMDA receptor; Grin1/Grin2a | IC50 | = | 15000.0 | nM | 4.82 | Functional antagonism by electrical assays in Xenopus oocytes expressing 1A/2A N... | 9719603 |
| Glutamate NMDA receptor; Grin1/Grin2c | IC50 | = | 65000.0 | nM | 4.19 | Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/... | 9719603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9719603 | 10.1021/jm980235+ | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 9719603 | 10.1021/jm980235+ | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 9719603 | 10.1021/jm980235+ | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
Data from ChEMBL 36 via Core Engine