Compound Detail
CHEMBL61177
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Basic Information
| ChEMBL ID | CHEMBL61177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEFVEVVRLIJZJF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.54
ALogP
5
HBA
1
HBD
52.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.25 | 6.25 | 562.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 6.0 | 6.0 | 1012.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 88.0 | nM | 7.06 | In vitro binding affinity towards sigma receptor by the displacement of [3H]PPP ... | - |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 562.0 | nM | 6.25 | In vitro binding affinity towards serotonin 5-HT1A receptor by the displacement ... | - |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 1012.0 | nM | 6.0 | In vitro binding affinity towards serotonin 5-HT2A receptor by the displacement ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80539-4 | Sigma non-opioid intracellular receptor 1 | 1 |
| - | 10.1016/S0960-894X(01)80539-4 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/S0960-894X(01)80539-4 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1016/S0960-894X(01)80539-4 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine