Compound Detail
CHEMBL4598399
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Basic Information
| ChEMBL ID | CHEMBL4598399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEIIOVCBHYALEP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
3.07
ALogP
4
HBA
1
HBD
44.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.53 | 7.2633 | 29.6 | 3 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 5.73 | 5.73 | 1862.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 29.6 | nM | 7.53 | Receptor Assay: Compounds were evaluated for σ-1 and σ-2 binding in rat brain ho... | - |
| Unchecked | Ki | = | 29.6 | nM | 7.53 | Receptor Assay: Compounds were evaluated for σ-1 and σ-2 binding in rat brain ho... | - |
| Unchecked | Ki | = | 186.0 | nM | 6.73 | Receptor Assay: Compounds were evaluated for σ-1 and σ-2 binding in rat brain ho... | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1862.0 | nM | 5.73 | Receptor Assay: Compounds were evaluated for σ-1 and σ-2 binding in rat brain ho... | - |
Data from ChEMBL 36 via Core Engine