Compound Detail
CHEMBL596328
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Basic Information
| ChEMBL ID | CHEMBL596328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNCCXFCOQHVIEX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
0.94
ALogP
5
HBA
1
HBD
54.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.18
Ki 1 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.81 | 6.81 | 156.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.18 | 6.18 | 660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 156.0 | nM | 6.81 | Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT | 19914063 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 660.0 | nM | 6.18 | Agonist activity against human 5HT2C receptor by FLIPR assay | 19914063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19914063 | 10.1016/j.bmcl.2009.10.112 | 5-hydroxytryptamine receptor 2C | 3 |
Data from ChEMBL 36 via Core Engine