Compound Detail
CHEMBL129163
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Basic Information
| ChEMBL ID | CHEMBL129163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJUGUCWHNWWFDF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
4.19
ALogP
2
HBA
1
HBD
36.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.94 | 6.94 | 115.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3597 | Ki | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 16.0 | nM | 7.8 | Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3... | 12930153 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 115.0 | nM | 6.94 | Binding affinity towards rat 5-hydroxytryptamine 2C receptor expressed in A-9 ce... | 12930153 |
| 5-hydroxytryptamine receptor 5A | Ki | = | 550.0 | nM | 6.26 | Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radi... | 12930153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930153 | 10.1021/jm030080s | 5-hydroxytryptamine receptor 5A | 1 |
| 12930153 | 10.1021/jm030080s | 5-hydroxytryptamine receptor 2A | 1 |
| 12930153 | 10.1021/jm030080s | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine