Compound Detail
CHEMBL158402
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL158402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPILPLUOWCUQIQ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
3.78
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 9.15 | 9.15 | 0.7 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.06 | 8.06 | 8.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 0.7 | nM | 9.15 | Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacemen... | 14741267 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 0.7 | nM | 9.15 | Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cel... | 20138771 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 8.7 | nM | 8.06 | Binding affinity towards human 5-hydroxytryptamine 1A receptor by the displaceme... | 14741267 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 230.0 | nM | 6.64 | Binding affinity towards human 5-hydroxytryptamine 2A receptor by the displaceme... | 14741267 |
| D(2) dopamine receptor | Ki | = | 1300.0 | nM | 5.89 | Binding affinity towards human dopamine receptor D2 by the displacement of [3H]s... | 14741267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 7 | 1 |
Data from ChEMBL 36 via Core Engine