Compound Detail
CHEMBL553962
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Basic Information
| ChEMBL ID | CHEMBL553962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZNREVLWPYBZJB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195151 |
| Active Moiety | CHEMBL1195151 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.6
MW (Da)
5.81
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 8.82 | 7.89 | 1.5 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 1.5 | nM | 8.82 | In vitro binding affinity at Sigma opioid receptors on guinea pig brain membrane... | 10508444 |
| Unchecked | IC50 | = | 2.2 | nM | 8.66 | In vitro binding affinity at Sigma opioid receptor type 1 on guinea pig brain me... | 10508444 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 110.0 | nM | 6.96 | TIn vitro binding affinity at Sigma opioid receptor type 2 on guinea pig brain m... | 10508444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10508444 | 10.1021/jm990135j | Sigma non-opioid intracellular receptor 1 | 2 |
| 10508444 | 10.1021/jm990135j | Unchecked | 1 |
| 10508444 | 10.1021/jm990135j | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine