Compound Detail
CHEMBL4754707
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Basic Information
| ChEMBL ID | CHEMBL4754707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFVJHRWUMHINNO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
181.2
MW (Da)
1.59
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.32 | 7.38 | 4.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4.8 | nM | 8.32 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain me... | 33007549 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 366.0 | nM | 6.44 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain me... | 33007549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33007549 | 10.1016/j.bmc.2020.115726 | Sigma non-opioid intracellular receptor 1 | 2 |
| 33007549 | 10.1016/j.bmc.2020.115726 | Sigma intracellular receptor 2 | 2 |
| 33007549 | 10.1016/j.bmc.2020.115726 | No relevant target | 2 |
| 33007549 | 10.1016/j.bmc.2020.115726 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine