Compound Detail
CHEMBL83081
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Basic Information
| ChEMBL ID | CHEMBL83081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTEPCKRLYVEVEM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
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 3 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.12 | 8.12 | 7.5 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.12 | 8.12 | 7.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 7.5 | nM | 8.12 | Binding affinity towards 5-hydroxytryptamine 2A receptor sites by using [3H]keta... | 12852967 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 7.5 | nM | 8.12 | Displacement of [3H]ketanserin from human 5HT2A receptor | 18774714 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 7.5 | nM | 8.12 | Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells | 18847250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852967 | 10.1016/s0960-894x(03)00504-3 | 5-hydroxytryptamine receptor 2A | 1 |
| 18774714 | 10.1016/j.bmcl.2008.08.059 | 5-hydroxytryptamine receptor 2A | 1 |
| 18847250 | 10.1021/jm800771x | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine