Compound Detail
CHEMBL344051
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Basic Information
| ChEMBL ID | CHEMBL344051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDDAAIIESIEEAD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
3.72
ALogP
2
HBA
1
HBD
37.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.91 | 6.91 | 124.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 124.0 | nM | 6.91 | Binding affinity towards cloned rat 5-hydroxytryptamine 2A receptor by [3H]ketan... | 14643338 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 200.0 | nM | 6.7 | Binding affinity towards cloned rat 5-hydroxytryptamine 2C receptor from fundus ... | 14643338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643338 | 10.1016/j.bmcl.2003.09.027 | 5-hydroxytryptamine receptor 2A | 1 |
| 14643338 | 10.1016/j.bmcl.2003.09.027 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine