Compound Detail
CHEMBL5082177
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Basic Information
| ChEMBL ID | CHEMBL5082177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLEOKEKDZHOOHG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
331.9
MW (Da)
5.64
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 80.0 | nM | 7.1 | Binding affinity to 5-HT2BR (unknown origin) | 34032427 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 400.0 | nM | 6.4 | Binding affinity to 5-HT1AR (unknown origin) | 34032427 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 2600.0 | nM | 5.58 | Binding affinity to 5-HT2CR (unknown origin) | 34032427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 7 | 7 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 1A | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 1B | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 1D | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 1E | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 2A | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 2B | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 2C | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 3A | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 5A | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine