Compound Detail
CHEMBL4647589
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Basic Information
| ChEMBL ID | CHEMBL4647589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKWYBHRMWOCFSD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
2.81
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.88 | 6.88 | 133.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 27.0 | nM | 7.57 | Displacement of [3H]-LSD from human 5-HT7A receptor expresssed in stable HEK cel... | 32631561 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 133.0 | nM | 6.88 | Displacement of [3H]-WAY100635 from human 5-HT1A receptor expresssed in stable C... | 32631561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32631561 | 10.1016/j.bmc.2020.115578 | 5-hydroxytryptamine receptor 2A | 2 |
| 32631561 | 10.1016/j.bmc.2020.115578 | 5-hydroxytryptamine receptor 6 | 2 |
| 32631561 | 10.1016/j.bmc.2020.115578 | 5-hydroxytryptamine receptor 1A | 1 |
| 32631561 | 10.1016/j.bmc.2020.115578 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine