Compound Detail
CHEMBL5270056
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Basic Information
| ChEMBL ID | CHEMBL5270056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJNCSLQCBKBXPG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
4.99
ALogP
3
HBA
2
HBD
46.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Ki | 10.1 | 10.1 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 0.08 | nM | 10.1 | Displacement of [3H]-ketanserin from rat 5-HT2B expressed in mouse NIH/3T3 cells... | 33528252 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 8.0 | nM | 8.1 | Displacement of [3H]-ketanserin from rat 5-HT2C expressed in mouse NIH/3T3 cells... | 33528252 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]-ketanserin from rat 5-HT2A expressed in mouse NIH/3T3 cells... | 33528252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33528252 | 10.1021/acs.jmedchem.0c01887 | 5-hydroxytryptamine receptor 2B | 3 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | 5-hydroxytryptamine receptor 2A | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine