Compound Detail
CHEMBL1927700
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Basic Information
| ChEMBL ID | CHEMBL1927700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIUGTNMGLMBNFZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.18
ALogP
6
HBA
1
HBD
93.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 4.83 | 4.83 | 14690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 14690.0 | nM | 4.83 | Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane ... | 22055714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22055714 | 10.1016/j.bmc.2011.10.046 | Unchecked | 2 |
| 22055714 | 10.1016/j.bmc.2011.10.046 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine