Compound Detail
CHEMBL75286
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL75286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAXSBEWCGPXYFN-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
1
Known Names
Molecular Properties
366.6
MW (Da)
4.73
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.3
EC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3465 | Ki | 8.19 | 8.19 | 6.5 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 8.03 | 8.03 | 9.2 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.77 | 4.675 | 16900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.5 | nM | 9.3 | Displacement of [3H]DTG from mouse sigma-2 receptor in TRAMP cell membrane | 18276137 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.57 | nM | 8.8 | In vitro binding affinity at opioid sigma-1 receptor in guinea pig brain membran... | 15084129 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 6.5 | nM | 8.19 | Displacement of (+)-[3H]pentazocine from mouse sigma 1 receptor in TRAMP cell me... | 18276137 |
| Sigma 2 receptor | Ki | = | 9.24 | nM | 8.03 | In vitro binding affinity at opioid sigma-2 receptor in rat liver membranes by [... | 15084129 |
| NON-PROTEIN TARGET | EC50 | = | 16900.0 | nM | 4.77 | Antiproliferative activity against mouse TRAMP cells | 18276137 |
| NON-PROTEIN TARGET | EC50 | = | 26600.0 | nM | 4.58 | Cytotoxicity against mouse TRAMP cells | 18276137 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084129 | 10.1021/jm031026e | Sigma non-opioid intracellular receptor 1 | 2 |
| 18276137 | 10.1016/j.bmcl.2008.01.109 | NON-PROTEIN TARGET | 2 |
| 15084129 | 10.1021/jm031026e | Sigma 2 receptor | 1 |
| 15084129 | 10.1021/jm031026e | Adrenergic receptor alpha-1 | 1 |
| 15084129 | 10.1021/jm031026e | Serotonin 3 (5-HT3) receptor | 1 |
| 18276137 | 10.1016/j.bmcl.2008.01.109 | Caco-2 | 1 |
| 18276137 | 10.1016/j.bmcl.2008.01.109 | Sigma non-opioid intracellular receptor 1 | 1 |
| 18276137 | 10.1016/j.bmcl.2008.01.109 | Unchecked | 1 |
| 23734634 | 10.1021/jm301545c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine