Compound Detail
CHEMBL132657
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Basic Information
| ChEMBL ID | CHEMBL132657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEVCJLJTGFXWDA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
398.9
MW (Da)
4.35
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.43 | 8.43 | 3.7 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 5.96 | 5.96 | 1096.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.715 | nM | 8.43 | Binding affinity at 5-hydroxytryptamine 1A receptor | 7562940 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 1096.48 | nM | 5.96 | Binding affinity at 5-hydroxytryptamine 1B receptor | 7562940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562940 | 10.1021/jm00020a020 | Rattus norvegicus | 5 |
| 7562940 | 10.1021/jm00020a020 | 5-hydroxytryptamine receptor 1A | 1 |
| 7562940 | 10.1021/jm00020a020 | 5-hydroxytryptamine receptor 1B | 1 |
| 7562940 | 10.1021/jm00020a020 | Unchecked | 1 |
| 7562940 | 10.1021/jm00020a020 | Adrenergic receptor alpha-1 | 1 |
| 7562940 | 10.1021/jm00020a020 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine