Compound Detail
CHEMBL315223
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Basic Information
| ChEMBL ID | CHEMBL315223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWORPZXUCHHSOT-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
3.17
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.6
Kd 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Kd | 7.8 | 7.775 | 15.8 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.18 | 7.18 | 66.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.54 | 5.54 | 2884.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Kd | = | 15.85 | nM | 7.8 | Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus | 8960557 |
| 5-hydroxytryptamine receptor 2B | Kd | = | 17.78 | nM | 7.75 | Inhibitory potency against rat stomach fundus 5-hydroxytryptamine 2B receptor | 7629791 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 25.12 | nM | 7.6 | Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293 | 8960557 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 66.07 | nM | 7.18 | Binding affinity against human 5-hydroxytryptamine 2C receptor expressed in 293 ... | 7629791 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1995.26 | nM | 5.7 | Displacement of [3H]ketanserin from 5-HT2A receptor of rat frontal cortex | 8960557 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2884.03 | nM | 5.54 | Binding affinity against human 5-hydroxytryptamine 2A receptor expressed in 293 ... | 7629791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960557 | 10.1021/jm960571v | 5-hydroxytryptamine receptor 2A | 2 |
| 7629791 | 10.1021/jm00014a004 | 5-hydroxytryptamine receptor 2A | 1 |
| 7629791 | 10.1021/jm00014a004 | 5-hydroxytryptamine receptor 2C | 1 |
| 7629791 | 10.1021/jm00014a004 | 5-hydroxytryptamine receptor 2B | 1 |
| 8960557 | 10.1021/jm960571v | 5-hydroxytryptamine receptor 2B | 1 |
| 8960557 | 10.1021/jm960571v | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine