Compound Detail
CHEMBL421787
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Basic Information
| ChEMBL ID | CHEMBL421787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEZYAUDEJBRRAT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
6.22
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.27 | 7.27 | 53.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.03 | 7.03 | 93.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 53.8 | nM | 7.27 | Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]... | 14640559 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 93.6 | nM | 7.03 | Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippoc... | 14640559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640559 | 10.1021/jm0309349 | 5-hydroxytryptamine receptor 1A | 1 |
| 14640559 | 10.1021/jm0309349 | 5-hydroxytryptamine receptor 2A | 1 |
| 14640559 | 10.1021/jm0309349 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine