Compound Detail
CHEMBL4645997
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Basic Information
| ChEMBL ID | CHEMBL4645997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCTOCIWVPDVRFX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.52
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.14 | 7.14 | 73.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.9 | 6.9 | 127.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.53 | 6.53 | 295.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.8 | 5.8 | 1570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 73.0 | nM | 7.14 | Displacement of [3H]-LSD from human 5-HT7A receptor expresssed in stable HEK cel... | 32631561 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 127.0 | nM | 6.9 | Displacement of [3H]-LSD from human 5-HT6 receptor expresssed in stable HEK cell... | 32631561 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 295.0 | nM | 6.53 | Displacement of [3H]-Ketanserin from 5-HT2A receptor (unknown origin) incubated ... | 32631561 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1570.0 | nM | 5.8 | 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 1A | 1 |
| 32631561 | 10.1016/j.bmc.2020.115578 | 5-hydroxytryptamine receptor 2A | 1 |
| 32631561 | 10.1016/j.bmc.2020.115578 | 5-hydroxytryptamine receptor 6 | 1 |
| 32631561 | 10.1016/j.bmc.2020.115578 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine