Compound Detail
CHEMBL349543
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Basic Information
| ChEMBL ID | CHEMBL349543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJLWLZAKVLPHRL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
4.51
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.14 | 6.14 | 721.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 721.0 | nM | 6.14 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2A receptor expressed NI... | 11266163 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 721.0 | nM | 6.14 | Displacement of [3H]Ketanserin from human cloned 5HT2A receptor | 20045641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11266163 | 10.1016/s0960-894x(01)00023-3 | 5-hydroxytryptamine receptor 2A | 1 |
| 20045641 | 10.1016/j.bmcl.2009.12.064 | 5-hydroxytryptamine receptor 2A | 1 |
| 20045641 | 10.1016/j.bmcl.2009.12.064 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine