Compound Detail
CHEMBL126188
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Basic Information
| ChEMBL ID | CHEMBL126188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJGKULPBSUOGBL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
5.16
ALogP
3
HBA
0
HBD
17.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.2 | 6.2 | 625.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3597 | Ki | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 400.0 | nM | 6.4 | Binding affinity towards rat 5-hydroxytryptamine 2C receptor expressed in A-9 ce... | 12930153 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 625.0 | nM | 6.2 | Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3... | 12930153 |
| 5-hydroxytryptamine receptor 5A | Ki | = | 650.0 | nM | 6.19 | 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