Compound Detail
CHEMBL104622
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Basic Information
| ChEMBL ID | CHEMBL104622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUBABGHLEBDGMP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
4.09
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.76 | 7.415 | 17.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 17.38 | nM | 7.76 | The compound was tested for affinity towards sigma-3 receptor | 7990111 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 85.11 | nM | 7.07 | The compound was tested for affinity towards sigma-3 receptor | 7990111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10447948 | 10.1021/jm980428x | Histamine H2 receptor | 2 |
| 7990111 | 10.1021/jm00050a008 | Sigma non-opioid intracellular receptor 1 | 2 |
| 10447948 | 10.1021/jm980428x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine