Compound Detail
CHEMBL61002
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Basic Information
| ChEMBL ID | CHEMBL61002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMEPEWSDHUFKSX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
260.1
MW (Da)
2.05
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 5.77 | 5.77 | 1710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 210.0 | nM | 6.68 | Displacement of [3H]ketanserin from rat prefrontal cortex 5-hydroxytryptamine 2 ... | 3950904 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 1710.0 | nM | 5.77 | Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex | 3950904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3950904 | 10.1021/jm00152a005 | Rattus norvegicus | 10 |
| 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