Compound Detail
CHEMBL42261
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Basic Information
| ChEMBL ID | CHEMBL42261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPXMLPNYJADRES-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
260.4
MW (Da)
1.96
ALogP
5
HBA
0
HBD
32.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.68 | 6.68 | 208.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.32 | 6.32 | 484.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 208.93 | nM | 6.68 | Affinity at 5-hydroxytryptamine 2A receptor of the rat brain cortex was assessed... | 10821703 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 208.0 | nM | 6.68 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2A receptor of rat brain... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 484.0 | nM | 6.32 | Displacement of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10821703 | 10.1021/jm9911332 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1016/S0960-894X(97)00291-6 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1016/S0960-894X(97)00291-6 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine