Compound Detail
CHEMBL473112
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Basic Information
| ChEMBL ID | CHEMBL473112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPYCFWKGCVBDTI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
2.95
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.84 | 6.84 | 143.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.7 | nM | 8.77 | Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in rat brain ce... | 17988766 |
| Unchecked | Ki | = | 143.0 | nM | 6.84 | Displacement of [3H]ditolylguanidine from sigma 2 opioid receptor in rat brain c... | 17988766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17988766 | 10.1016/j.ejmech.2007.09.026 | Unchecked | 2 |
| 17988766 | 10.1016/j.ejmech.2007.09.026 | Delta-type opioid receptor | 1 |
| 17988766 | 10.1016/j.ejmech.2007.09.026 | Kappa-type opioid receptor | 1 |
| 17988766 | 10.1016/j.ejmech.2007.09.026 | Mu-type opioid receptor | 1 |
| 17988766 | 10.1016/j.ejmech.2007.09.026 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine