Compound Detail
CHEMBL274066
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Basic Information
| ChEMBL ID | CHEMBL274066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWXWMZPAKOINJY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
5.99
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 2.512 | nM | 8.6 | Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 ... | 10737744 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 12.59 | nM | 7.9 | Binding affinities towards human cloned 5-hydroxytryptamine 2B receptor in HEK29... | 10737744 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 199.53 | nM | 6.7 | Binding affinity towards human cloned 5-hydroxytryptamine receptor 2A in HEK293 ... | 10737744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737744 | 10.1021/jm990388c | 5-hydroxytryptamine receptor 2A | 1 |
| 10737744 | 10.1021/jm990388c | 5-hydroxytryptamine receptor 2B | 1 |
| 10737744 | 10.1021/jm990388c | 5-hydroxytryptamine receptor 2C | 1 |
| 10737744 | 10.1021/jm990388c | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 10737744 | 10.1021/jm990388c | Serotonin receptor (2b and 2c) | 1 |
| 10737744 | 10.1021/jm990388c | Cytochrome P450 1A2 | 1 |
| 10737744 | 10.1021/jm990388c | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine