Compound Detail
CHEMBL283065
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Basic Information
| ChEMBL ID | CHEMBL283065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCSCYJFJDDPPKK-HXUWFJFHSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
5.12
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.64
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.9 | 7.8933 | 12.6 | 3 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.26 | 6.26 | 554.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.69 | 5.69 | 2030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 12.59 | nM | 7.9 | Binding affinity towards cloned rat 5-hydroxytryptamine 7 receptor was determine... | 14667218 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]5-HT from rat 5-hydroxytryptamine 7 receptor expressed in CH... | 11311055 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]5-HT from rat 5-HT7 assessed as inhibition constant | 37172474 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 554.0 | nM | 6.26 | Displacement of [3H]8-OH-DPAT from human 5-hydroxytryptamine 1A receptor express... | 11311055 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 554.0 | nM | 6.26 | Displacement of [3H]8-OH-DPAT from human 5-HT1A assessed as inhibition constant | 37172474 |
| D(2) dopamine receptor | Ki | = | 2030.0 | nM | 5.69 | Displacement of [3H]raclopride from human dopamine receptor D2A expressed in mou... | 11311055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11311055 | 10.1021/jm0108505 | 5-hydroxytryptamine receptor 7 | 2 |
| 14667218 | 10.1021/jm030841r | 5-hydroxytryptamine receptor 7 | 1 |
| 11311055 | 10.1021/jm0108505 | 5-hydroxytryptamine receptor 1A | 1 |
| 11311055 | 10.1021/jm0108505 | D(2) dopamine receptor | 1 |
| 37172474 | 10.1016/j.ejmech.2023.115414 | 5-hydroxytryptamine receptor 7 | 1 |
| 37172474 | 10.1016/j.ejmech.2023.115414 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine