Compound Detail
CHEMBL4087471
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Basic Information
| ChEMBL ID | CHEMBL4087471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STOGBMWLXSWHAE-AVJYQCBHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.6
MW (Da)
4.54
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Ki 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 27.0 | nM | 7.57 | Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membra... | 28764962 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Displacement of [3H]-(+)-MK 801 from PCP binding site of NMDA receptor in pig br... | 28764962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28764962 | 10.1016/j.bmc.2017.07.027 | Unchecked | 3 |
| 28764962 | 10.1016/j.bmc.2017.07.027 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28764962 | 10.1016/j.bmc.2017.07.027 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine