Compound Detail
CHEMBL5891701
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Basic Information
| ChEMBL ID | CHEMBL5891701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIWIOERUEWEFBJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
4.51
ALogP
5
HBA
0
HBD
55.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.18 | 8.9667 | 0.7 | 3 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 8.54 | 8.54 | 2.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.66 | nM | 9.18 | Receptor Assay: Compounds were evaluated for σ-1 and σ-2 binding in rat brain ho... | - |
| Unchecked | Ki | = | 0.66 | nM | 9.18 | Receptor Assay: Compounds were evaluated for σ-1 and σ-2 binding in rat brain ho... | - |
| Unchecked | Ki | = | 2.89 | nM | 8.54 | Receptor Assay: Compounds were evaluated for σ-1 and σ-2 binding in rat brain ho... | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.89 | nM | 8.54 | Receptor Assay: Compounds were evaluated for σ-1 and σ-2 binding in rat brain ho... | - |
Data from ChEMBL 36 via Core Engine