Compound Detail
CHEMBL363452
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Basic Information
| ChEMBL ID | CHEMBL363452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNAQUCCCIRBEBB-INIZCTEOSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.88
ALogP
4
HBA
2
HBD
46.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 9.7 | 9.7 | 0.2 | 2 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 0.2 | nM | 9.7 | Binding affinity against 5-Hydroxy tryptamine 7 receptor | 15261280 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 0.1995 | nM | 9.7 | Displacement of [3H]5CT from 5HT7 receptor | 20346662 |
| Adrenergic receptor alpha-1 | Ki | = | 8.0 | nM | 8.1 | Binding affinity against Alpha1 adrenergic receptor | 15261280 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 15.0 | nM | 7.82 | Binding affinity against 5-Hydroxy tryptamine 2C receptor | 15261280 |
| D(2) dopamine receptor | Ki | = | 370.0 | nM | 6.43 | Binding affinity against D2L receptor | 15261280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261280 | 10.1016/j.bmcl.2004.06.007 | 5-hydroxytryptamine receptor 7 | 1 |
| 15261280 | 10.1016/j.bmcl.2004.06.007 | D(2) dopamine receptor | 1 |
| 15261280 | 10.1016/j.bmcl.2004.06.007 | Adrenergic receptor alpha-1 | 1 |
| 15261280 | 10.1016/j.bmcl.2004.06.007 | 5-hydroxytryptamine receptor 2C | 1 |
| 20346662 | 10.1016/j.bmcl.2010.03.012 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine