Compound Detail
CHEMBL3309609
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Basic Information
| ChEMBL ID | CHEMBL3309609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAPCWTYIAFTINX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
2.72
ALogP
4
HBA
0
HBD
34.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 120.0 | nM | 6.92 | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain c... | 24913984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24913984 | 10.1016/j.bmc.2014.05.033 | Unchecked | 2 |
| 24913984 | 10.1016/j.bmc.2014.05.033 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine