Compound Detail
CHEMBL61355
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Basic Information
| ChEMBL ID | CHEMBL61355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMNXUMMCCOZPPN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
214.1
MW (Da)
2.34
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.83 | 5.83 | 1485.0 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 5.55 | 5.55 | 2830.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.33 | 5.33 | 4650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 1485.0 | nM | 5.83 | Binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical r... | 1542100 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 2830.0 | nM | 5.55 | Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex | 3950904 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 4650.0 | nM | 5.33 | Displacement of [3H]ketanserin from rat prefrontal cortex 5-hydroxytryptamine 2 ... | 3950904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1542100 | 10.1021/jm00082a014 | 5-hydroxytryptamine receptor 2C | 1 |
| 1542100 | 10.1021/jm00082a014 | Serotonin 2 (5-HT2) receptor | 1 |
| 3950904 | 10.1021/jm00152a005 | Serotonin 1 (5-HT1) receptor | 1 |
| 3950904 | 10.1021/jm00152a005 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine