Compound Detail
CHEMBL2349448
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O=C1OC2(CCN(Cc3ccccc3)CC2)c2c(-c3cccc4ccccc34)sc(-c3cccc4ccccc34)c21
Basic Information
| ChEMBL ID | CHEMBL2349448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNAKZZHCWFELFA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
551.7
MW (Da)
9.05
ALogP
4
HBA
0
HBD
29.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.11 | 6.11 | 784.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 784.0 | nM | 6.11 | Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain me... | 23462714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23462714 | 10.1016/j.bmc.2013.01.038 | Unchecked | 2 |
| 23462714 | 10.1016/j.bmc.2013.01.038 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine