Compound Detail
CHEMBL25815
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Basic Information
| ChEMBL ID | CHEMBL25815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBQOYPLKTTXLSQ-SANMLTNESA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.17
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.69
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.67 | 8.67 | 2.1 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.98 | 6.98 | 105.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 2.138 | nM | 8.67 | Displacement of [3H]5CT from 5HT7 receptor | 20346662 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.31 | nM | 8.48 | Displacement of [3H]5-HT from rat 5-hydroxytryptamine 7 receptor expressed in CH... | 11311055 |
| D(2) dopamine receptor | Ki | = | 105.0 | nM | 6.98 | Displacement of [3H]raclopride from human dopamine receptor D2A expressed in mou... | 11311055 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 170.0 | nM | 6.77 | Displacement of [3H]8-OH-DPAT from human 5-hydroxytryptamine 1A receptor express... | 11311055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11311055 | 10.1021/jm0108505 | 5-hydroxytryptamine receptor 7 | 1 |
| 11311055 | 10.1021/jm0108505 | 5-hydroxytryptamine receptor 1A | 1 |
| 11311055 | 10.1021/jm0108505 | D(2) dopamine receptor | 1 |
| 20346662 | 10.1016/j.bmcl.2010.03.012 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine