Compound Detail
CHEMBL117567
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Basic Information
| ChEMBL ID | CHEMBL117567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNEILRWYILYORS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.57
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.07
Ki 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.07 | 6.555 | 86.0 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.62 | 5.62 | 2420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 86.0 | nM | 7.07 | Binding affinity against sigma sites in guinea pig membrane using [3H]DTG as the... | 8426363 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 908.0 | nM | 6.04 | Binding affinity against sigma sites in guinea pig membrane using [3H](+)-3-PPP ... | 8426363 |
| D(2) dopamine receptor | Ki | = | 2420.0 | nM | 5.62 | Binding affinity against D2 receptor in rat corpus striatum using [3H]sulpiride ... | 8426363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8426363 | 10.1021/jm00055a005 | Sigma non-opioid intracellular receptor 1 | 2 |
| 8426363 | 10.1021/jm00055a005 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine