Compound Detail
CHEMBL319998
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Basic Information
| ChEMBL ID | CHEMBL319998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFHNETWGFNWKLA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.42
ALogP
3
HBA
1
HBD
40.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 100.0 | nM | 7.0 | Binding affinity against human 5-hydroxytryptamine 2C receptor using displacemen... | 9276022 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 3162.28 | nM | 5.5 | Binding affinity against human 5-hydroxytryptamine 2A receptor using displacemen... | 9276022 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276022 | 10.1021/jm970030l | 5-hydroxytryptamine receptor 2C | 3 |
| 9276022 | 10.1021/jm970030l | 5-hydroxytryptamine receptor 2A | 1 |
| 9276022 | 10.1021/jm970030l | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine