Compound Detail
CHEMBL3769895
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Basic Information
| ChEMBL ID | CHEMBL3769895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIECJFDJCQNWNM-RRPNLBNLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
4.65
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.97 | 8.97 | 1.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.79 | 7.79 | 16.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.072 | nM | 8.97 | Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain m... | 26874044 |
| Unchecked | Ki | = | 16.22 | nM | 7.79 | Displacement of [3H]DTG from sigma-2 receptor in guinea pig brain membranes afte... | 26874044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26874044 | 10.1016/j.ejmech.2016.01.059 | Unchecked | 4 |
| 26874044 | 10.1016/j.ejmech.2016.01.059 | Sigma non-opioid intracellular receptor 1 | 1 |
| 26874044 | 10.1016/j.ejmech.2016.01.059 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine