Compound Detail
CHEMBL590816
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Basic Information
| ChEMBL ID | CHEMBL590816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCAKADOGXISKBY-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
0.56
ALogP
3
HBA
2
HBD
44.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.8
Ki 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.17 | 7.17 | 67.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.0 | 7.0 | 101.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.61 | 6.61 | 248.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.57 | 6.57 | 269.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20022752 | 10.1016/j.bmcl.2009.12.014 | 5-hydroxytryptamine receptor 2A | 3 |
| 20022752 | 10.1016/j.bmcl.2009.12.014 | 5-hydroxytryptamine receptor 2C | 3 |
| 20022752 | 10.1016/j.bmcl.2009.12.014 | 5-hydroxytryptamine receptor 2B | 3 |
Data from ChEMBL 36 via Core Engine