Compound Detail
CHEMBL4778946
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Basic Information
| ChEMBL ID | CHEMBL4778946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KETBMKOEQWXFJG-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
471.0
MW (Da)
4.72
ALogP
5
HBA
1
HBD
45.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.45 | 7.45 | 35.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.35 | 6.35 | 449.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 35.8 | nM | 7.45 | Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells asse... | 32442850 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 449.0 | nM | 6.35 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells... | 32442850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32442850 | 10.1016/j.ejmech.2020.112395 | ADMET | 1 |
| 32442850 | 10.1016/j.ejmech.2020.112395 | 5-hydroxytryptamine receptor 7 | 1 |
| 32442850 | 10.1016/j.ejmech.2020.112395 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine