Compound Detail
CHEMBL4205290
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Basic Information
| ChEMBL ID | CHEMBL4205290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARQDTTRYUMUINH-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
1.64
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.65
EC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 10.65 | 10.65 | 0.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.11 | 8.11 | 7.7 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.22 | 6.22 | 599.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | EC50 | 5.37 | 5.37 | 4250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.0224 | nM | 10.65 | Displacement of [3H]ketanserin from serotonin 5-HT2A receptor in Sprague-Dawley ... | 28943244 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 7.7 | nM | 8.11 | Binding affinity to 5-HT1A receptor (unknown origin) assessed as inhibition cons... | 35939391 |
| Alpha-1A adrenergic receptor | Ki | = | 20.0 | nM | 7.7 | Binding affinity to alpha 1A adrenergic receptor (unknown origin) assessed as in... | 35939391 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 599.0 | nM | 6.22 | Displacement of [3H]-8-OH-DPAT from serotonin 5-HT1A receptor in Sprague-Dawley ... | 28943244 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 4250.0 | nM | 5.37 | Antagonist activity at 5-HT2A receptor in Sprague-Dawley rat ielum assessed as r... | 28943244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28943244 | 10.1016/j.bmc.2017.09.018 | 5-hydroxytryptamine receptor 2A | 4 |
| 28943244 | 10.1016/j.bmc.2017.09.018 | 5-hydroxytryptamine receptor 1A | 1 |
| 28943244 | 10.1016/j.bmc.2017.09.018 | 5-hydroxytryptamine receptor 2C | 1 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | Alpha-1A adrenergic receptor | 1 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine