Compound Detail
CHEMBL423034
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Basic Information
| ChEMBL ID | CHEMBL423034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKDDUCONRFBZBT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
5.79
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.79 | 7.79 | 16.4 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.97 | 6.97 | 107.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 16.4 | nM | 7.79 | Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]... | 14640559 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 107.8 | nM | 6.97 | 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