Compound Detail
CHEMBL57027
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Basic Information
| ChEMBL ID | CHEMBL57027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOGIFICSDLMGIB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.8
MW (Da)
2.61
ALogP
5
HBA
0
HBD
32.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.46 | 6.455 | 346.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 346.74 | nM | 6.46 | Affinity at 5-hydroxytryptamine 2A receptor of the rat brain cortex was assessed... | 10821703 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 353.0 | nM | 6.45 | Affinity at 5-hydroxytryptamine 2A receptor of the rat brain cortex was assessed... | 10821703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10821703 | 10.1021/jm9911332 | 5-hydroxytryptamine receptor 2A | 2 |
Data from ChEMBL 36 via Core Engine