Compound Detail
CHEMBL60146
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Basic Information
| ChEMBL ID | CHEMBL60146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWONMRKCBJPFCM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
244.1
MW (Da)
2.35
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.08 | 5.695 | 830.0 | 2 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 100.0 | nM | 7.0 | Binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical r... | 1542100 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 830.0 | nM | 6.08 | Binding affinity towards 5-hydroxytryptamine 2 receptor from frontal cortical re... | 1542100 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 2900.0 | nM | 5.54 | Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex | 3950904 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 4870.0 | nM | 5.31 | Displacement of [3H]ketanserin from rat prefrontal cortex 5-hydroxytryptamine 2 ... | 3950904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3950904 | 10.1021/jm00152a005 | Rattus norvegicus | 19 |
| 1542100 | 10.1021/jm00082a014 | Serotonin 2 (5-HT2) receptor | 2 |
| 1542100 | 10.1021/jm00082a014 | 5-hydroxytryptamine receptor 2C | 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