Compound Detail
CHEMBL180815
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Basic Information
| ChEMBL ID | CHEMBL180815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQQAIJWQKAFMGF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
2.71
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 5.0 | nM | 8.3 | Effective concentration towards 5-hydroxytryptamine 2C receptors transfected in ... | 15713408 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 80.0 | nM | 7.1 | Effective concentration towards 5-hydroxytryptamine 2A receptors transfected in ... | 15713408 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 100.0 | nM | 7.0 | Effective concentration towards 5-hydroxytryptamine 2B receptors transfected in ... | 15713408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713408 | 10.1016/j.bmcl.2004.12.080 | 5-hydroxytryptamine receptor 2C | 1 |
| 15713408 | 10.1016/j.bmcl.2004.12.080 | 5-hydroxytryptamine receptor 2A | 1 |
| 15713408 | 10.1016/j.bmcl.2004.12.080 | 5-hydroxytryptamine receptor 2B | 1 |
| 15713408 | 10.1016/j.bmcl.2004.12.080 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine