Compound Detail
CHEMBL611472
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Basic Information
| ChEMBL ID | CHEMBL611472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNXYNWFSYYZAPJ-SFHVURJKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
4.93
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 9.6 | 9.6 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.28 | 8.28 | 5.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.19 | 7.19 | 64.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 0.2512 | nM | 9.6 | Binding affinity at rat 5-hydroxytryptamine 7 receptor. | 14640545 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 5.2 | nM | 8.28 | Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expresse... | 31882369 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 64.0 | nM | 7.19 | Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expresse... | 31882369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640545 | 10.1021/jm030826m | 5-hydroxytryptamine receptor 7 | 2 |
| 31882369 | 10.1016/j.bmc.2019.115262 | 5-hydroxytryptamine receptor 7 | 1 |
| 31882369 | 10.1016/j.bmc.2019.115262 | 5-hydroxytryptamine receptor 1A | 1 |
| 31882369 | 10.1016/j.bmc.2019.115262 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine