Compound Detail
CHEMBL82688
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Basic Information
| ChEMBL ID | CHEMBL82688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZNJLJHYICMJAT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
4.74
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.78 | 5.78 | 1650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 50.0 | nM | 7.3 | Tested for binding affinity against 5-hydroxytryptamine 2 receptor from rat fron... | 8355253 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 180.0 | nM | 6.75 | Tested for binding affinity against 5-hydroxytryptamine 1A receptor from rat fro... | 8355253 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 1650.0 | nM | 5.78 | Tested for binding affinity against 5-hydroxytryptamine 1C receptor from rat fro... | 8355253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709130 | 10.1021/jm950894b | Mus musculus | 3 |
| 8355253 | 10.1021/jm00069a010 | Serotonin 2 (5-HT2) receptor | 2 |
| 8709130 | 10.1021/jm950894b | Unchecked | 1 |
| 8709130 | 10.1021/jm950894b | Rattus norvegicus | 1 |
| 8355253 | 10.1021/jm00069a010 | 5-hydroxytryptamine receptor 1A | 1 |
| 8355253 | 10.1021/jm00069a010 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine