Compound Detail
CHEMBL3827403
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Basic Information
| ChEMBL ID | CHEMBL3827403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWSASKZXNWFVEF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
359.6
MW (Da)
4.66
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.63 | 6.63 | 234.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain m... | 27396684 |
| Unchecked | Ki | = | 234.0 | nM | 6.63 | Displacement of [3H]di-o-tolylgluanidine from sigma 2 receptor in rat liver memb... | 27396684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27396684 | 10.1016/j.bmc.2016.06.046 | Unchecked | 2 |
| 28501431 | 10.1016/j.bmc.2017.04.042 | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 2 |
| 27396684 | 10.1016/j.bmc.2016.06.046 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28501431 | 10.1016/j.bmc.2017.04.042 | Yarrowia lipolytica | 1 |
| 28501431 | 10.1016/j.bmc.2017.04.042 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine