Compound Detail
CHEMBL5172635
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Basic Information
| ChEMBL ID | CHEMBL5172635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXSHRVWFLXSVKK-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
3.59
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.17 | 8.17 | 6.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 2.6 | nM | 8.59 | Binding affinity to human recombinant 5-HT7 receptor expressed in CHO cells asse... | 35939391 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 6.8 | nM | 8.17 | Binding affinity to human recombinant 5-HT1A expressed in CHO cells assessed as ... | 35939391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35939391 | 10.1021/acs.jmedchem.2c00633 | 5-hydroxytryptamine receptor 7 | 1 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine