Compound Detail
CHEMBL509461
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Basic Information
| ChEMBL ID | CHEMBL509461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWIJKLXSGANTJL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
250.1
MW (Da)
2.62
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.6 | 5.6 | 2505.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 2505.0 | nM | 5.6 | Displacement of [3H]MDL100907 from 5HT2A receptor in Sprague-Dawley rat brain by... | 18296055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18296055 | 10.1016/j.bmc.2008.02.033 | 5-hydroxytryptamine receptor 2A | 2 |
| 18296055 | 10.1016/j.bmc.2008.02.033 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine