Compound Detail
CHEMBL3765740
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CC1CCN(CCCCC2CCCc3cc(OCCCCCCN4C(=O)c5ccc(N(C)C)cc5C4=O)ccc32)CC1
Basic Information
| ChEMBL ID | CHEMBL3765740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISUYGHCIKXNJMF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
573.8
MW (Da)
7.31
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.32 | 7.32 | 48.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 3.61 | nM | 8.44 | Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain membr... | 26717207 |
| Unchecked | Ki | = | 48.3 | nM | 7.32 | Displacement of [3H]-DTG from sigma 2 receptor in Wistar hannover rat liver memb... | 26717207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26717207 | 10.1016/j.ejmech.2015.12.014 | Sigma non-opioid intracellular receptor 1 | 1 |
| 26717207 | 10.1016/j.ejmech.2015.12.014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine