Compound Detail
CHEMBL4064375
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Basic Information
| ChEMBL ID | CHEMBL4064375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDFPQKADFLEDQV-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.61
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.3 | nM | 8.64 | Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain m... | 28501431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28501431 | 10.1016/j.bmc.2017.04.042 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine