Compound Detail
CHEMBL595646
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Basic Information
| ChEMBL ID | CHEMBL595646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNAZTBFTLGYSPI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.9
MW (Da)
3.33
ALogP
6
HBA
1
HBD
50.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.92
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 4.0 | nM | 8.4 | Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT | 19914063 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 1200.0 | nM | 5.92 | 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