Compound Detail
CHEMBL518434
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Basic Information
| ChEMBL ID | CHEMBL518434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPWJZQJZQFPBJA-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
1.17
ALogP
5
HBA
1
HBD
45.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.04 | 5.04 | 9010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 320.0 | nM | 6.5 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 18499305 |
| Unchecked | Ki | = | 9010.0 | nM | 5.04 | Displacement of [3H]ditolylguanidine from sigma 2 receptor in rat liver membrane... | 18499305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18499305 | 10.1016/j.ejmech.2008.03.033 | Unchecked | 3 |
| 18499305 | 10.1016/j.ejmech.2008.03.033 | Sigma non-opioid intracellular receptor 1 | 1 |
| 18499305 | 10.1016/j.ejmech.2008.03.033 | Mu-type opioid receptor | 1 |
| 18499305 | 10.1016/j.ejmech.2008.03.033 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine