Compound Detail
CHEMBL158285
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Basic Information
| ChEMBL ID | CHEMBL158285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONJJIEKDZQAGJP-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
261.2
MW (Da)
2.50
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.39 | 8.07 | 4.1 | 3 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.88 | 6.88 | 133.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.57 | 6.57 | 270.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 4.1 | nM | 8.39 | Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacemen... | 14741267 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 4.1 | nM | 8.39 | Displacement of [3H]5CT from 5HT7B receptor | 20138771 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 37.0 | nM | 7.43 | Binding affinity towards human 5-hydroxytryptamine 1A receptor by the displaceme... | 14741267 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 37.0 | nM | 7.43 | Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cel... | 20138771 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 133.0 | nM | 6.88 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampus | 20138771 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 270.0 | nM | 6.57 | Binding affinity towards human 5-hydroxytryptamine 2A receptor by the displaceme... | 14741267 |
| D(2) dopamine receptor | Ki | = | 870.0 | nM | 6.06 | Binding affinity towards human dopamine receptor D2 by the displacement of [3H]s... | 14741267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20138771 | 10.1016/j.bmc.2010.01.035 | 5-hydroxytryptamine receptor 7 | 2 |
| 14741267 | 10.1016/j.bmcl.2003.11.050 | 5-hydroxytryptamine receptor 7 | 1 |
| 14741267 | 10.1016/j.bmcl.2003.11.050 | 5-hydroxytryptamine receptor 1A | 1 |
| 14741267 | 10.1016/j.bmcl.2003.11.050 | 5-hydroxytryptamine receptor 2A | 1 |
| 14741267 | 10.1016/j.bmcl.2003.11.050 | D(2) dopamine receptor | 1 |
| 20138771 | 10.1016/j.bmc.2010.01.035 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine