Compound Detail
CHEMBL90643
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Basic Information
| ChEMBL ID | CHEMBL90643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIEXNKQXOFAAIR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
4.32
ALogP
1
HBA
2
HBD
39.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 1030.0 | nM | 5.99 | In vitro concentration required to inhibit specific [3H]MK-801 radioligand bindi... | 8295213 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 2900.0 | nM | 5.54 | Tested in vitro for the concentration required to inhibit specific [3H]DTG radio... | 8295213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8295213 | 10.1021/jm00028a009 | Glutamate NMDA receptor | 1 |
| 8295213 | 10.1021/jm00028a009 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine