Compound Detail
CHEMBL418745
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Basic Information
| ChEMBL ID | CHEMBL418745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUOZYCSUAHKCCP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
221.4
MW (Da)
3.49
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2C CHEMBL401 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of [3H]- N-allylnormetazocine ([3H]NANM) binding to sigma receptor | 2542555 |
| Glutamate receptor ionotropic, NMDA 2C | IC50 | = | 8500.0 | nM | 5.07 | Inhibition of [3H]1-[1-(2-thienyl) piperidine ([3H]TCP) binding to PCP receptor | 2542555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2542555 | 10.1021/jm00126a016 | Glutamate receptor ionotropic, NMDA 2C | 1 |
| 2542555 | 10.1021/jm00126a016 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine