Compound Detail
CHEMBL41347
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Basic Information
| ChEMBL ID | CHEMBL41347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUTFBUFCLSOFQF-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
308.2
MW (Da)
3.98
ALogP
2
HBA
1
HBD
45.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 receptors; 5-HT2a & 5-HT2c CHEMBL2096662 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.1 | 6.1 | 794.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.3 | 5.3 | 5011.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 receptors; 5-HT2a & 5-HT2c | Ki | = | 6.0 | nM | 8.22 | Selectivity ratio of Ki for human cloned 5HT2C receptor to Ki for human cloned 5... | 20570529 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 794.33 | nM | 6.1 | Binding affinity towards cloned human 5-hydroxytryptamine 2C receptor expressed ... | 9572885 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 794.0 | nM | 6.1 | Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HE... | 20570529 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 5011.87 | nM | 5.3 | Binding affinity towards human 5-hydroxytryptamine 2A receptor expressed in HEK ... | 9572885 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 5012.0 | nM | 5.3 | Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed i... | 20570529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9572885 | 10.1021/jm970741j | 5-hydroxytryptamine receptor 2A | 1 |
| 9572885 | 10.1021/jm970741j | 5-hydroxytryptamine receptor 2C | 1 |
| 9572885 | 10.1021/jm970741j | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 20570529 | 10.1016/j.bmc.2010.05.017 | 5-hydroxytryptamine receptor 2C | 1 |
| 20570529 | 10.1016/j.bmc.2010.05.017 | 5-hydroxytryptamine receptor 2A | 1 |
| 20570529 | 10.1016/j.bmc.2010.05.017 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine