Compound Detail
CHEMBL5090884
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Basic Information
| ChEMBL ID | CHEMBL5090884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MILNGRIOFATLCK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5096072 |
| Active Moiety | CHEMBL5096072 |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
317.9
MW (Da)
4.95
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.19 | 7.19 | 64.0 | 2 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.24 | 6.24 | 570.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 64.57 | nM | 7.19 | Displacement of [3H] D-lysergic acid diethylamide from 5-HT7R (unknown origin) t... | 34032427 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 64.0 | nM | 7.19 | Displacement of [3H] D-lysergic acid diethylamide from 5-HT7R (unknown origin) t... | 34032427 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 110.0 | nM | 6.96 | Binding affinity to 5-HT1DR (unknown origin) | 34032427 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 130.0 | nM | 6.89 | Binding affinity to 5-HT2BR (unknown origin) | 34032427 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 220.0 | nM | 6.66 | Binding affinity to 5-HT1AR (unknown origin) | 34032427 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 280.0 | nM | 6.55 | Binding affinity to 5-HT1BR (unknown origin) | 34032427 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 570.0 | nM | 6.24 | Binding affinity to 5-HT2AR (unknown origin) | 34032427 |
| 5-hydroxytryptamine receptor 5A | Ki | = | 2400.0 | nM | 5.62 | Binding affinity to 5-HT5AR (unknown origin) | 34032427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 7 | 8 |
| 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