Compound Detail
CHEMBL261046
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Basic Information
| ChEMBL ID | CHEMBL261046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPXCAJOWJHEUBE-ZETCQYMHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
1.52
ALogP
5
HBA
1
HBD
69.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 47.0 | nM | 7.33 | Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells | 18035544 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 59.0 | nM | 7.23 | Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells | 18035544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18035544 | 10.1016/j.bmc.2007.10.100 | 5-hydroxytryptamine receptor 2C | 1 |
| 18035544 | 10.1016/j.bmc.2007.10.100 | 5-hydroxytryptamine receptor 2A | 1 |
| 18035544 | 10.1016/j.bmc.2007.10.100 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine