Compound Detail
CHEMBL3286869
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Basic Information
| ChEMBL ID | CHEMBL3286869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIURIBSBVUMOJS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.7
MW (Da)
1.59
ALogP
7
HBA
7
HBD
130.5
PSA (Ų)
0.10
QED
1
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 1 CHEMBL3753 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 1 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of rat recombinant GluA1 expressed in Xenopus oocytes assessed as inh... | 24824658 |
| Glutamate NMDA receptor; Grin1/Grin2a | IC50 | = | 12.0 | nM | 7.92 | Inhibition of rat recombinant GluN1/2A expressed in Xenopus oocytes assessed as ... | 24824658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24824658 | 10.1021/jm5004705 | Glutamate NMDA receptor; Grin1/Grin2a | 2 |
| 24824658 | 10.1021/jm5004705 | Glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine