Compound Detail
CHEMBL3237277
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COC(=O)c1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL3237277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVKVDFFIHLTUAI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.79
ALogP
5
HBA
2
HBD
99.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | EC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c | EC50 | = | 35000.0 | nM | 4.46 | Potentiation of rat recombinant GluN1/GluN2C expressed in Xenopus laevis oocytes... | 24512267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24512267 | 10.1021/jm401695d | Glutamate NMDA receptor; Grin1/Grin2c | 3 |
| 24512267 | 10.1021/jm401695d | Ionotropic glutamate receptor NMDA 1/2D | 1 |
| 24512267 | 10.1021/jm401695d | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 24512267 | 10.1021/jm401695d | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
Data from ChEMBL 36 via Core Engine