Compound Detail
CHEMBL454491
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Basic Information
| ChEMBL ID | CHEMBL454491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJILWLYMMRQWLR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.69
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.91 | 6.91 | 124.0 | 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 | Displacement of [3H]ketanserin from human 5HT2A receptor | 18774714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18774714 | 10.1016/j.bmcl.2008.08.059 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine