Compound Detail
CHEMBL5416800
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Basic Information
| ChEMBL ID | CHEMBL5416800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALOKBPBZPPQHDZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
235.7
MW (Da)
2.87
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.51 | 7.505 | 31.0 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.2 | 7.185 | 63.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 31.0 | nM | 7.51 | Agonist activity at human 5-HT2CR expressed in human Flp-In-T-REx-293 cells asse... | 38229745 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 31.62 | nM | 7.5 | Agonist activity at human 5-HT2CR expressed in human Flp-In-T-REx-293 cells asse... | 38229745 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 63.1 | nM | 7.2 | Partial agonist activity at human 5-HT2BR expressed in human Flp-In-T-REx-293 ce... | 38229745 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 68.4 | nM | 7.17 | Partial agonist activity at human 5-HT2BR expressed in human Flp-In-T-REx-293 ce... | 38229745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38229745 | 10.1021/acsmedchemlett.3c00454 | 5-hydroxytryptamine receptor 2B | 3 |
| 38229745 | 10.1021/acsmedchemlett.3c00454 | 5-hydroxytryptamine receptor 2C | 3 |
| 38229745 | 10.1021/acsmedchemlett.3c00454 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine