Compound Detail
CHEMBL19589
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Basic Information
| ChEMBL ID | CHEMBL19589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEFOLRNTTIQKBZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.82
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.02 | 8.02 | 9.6 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.02 | 8.02 | 9.6 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 9.6 | nM | 8.02 | Binding affinity against 5-hydroxytryptamine 2A receptor | 7707322 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 9.6 | nM | 8.02 | Binding affinity for human 5-hydroxytryptamine 2A receptor | 11170639 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 800.0 | nM | 6.1 | Binding affinity against 5-hydroxytryptamine 2C receptor | 7707322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7707322 | 10.1021/jm00007a016 | 5-hydroxytryptamine receptor 2A | 1 |
| 7707322 | 10.1021/jm00007a016 | 5-hydroxytryptamine receptor 2C | 1 |
| 7707322 | 10.1021/jm00007a016 | Serotonin receptor 2a and 2c (5HT2A and 5HT2C) | 1 |
| 11170639 | 10.1021/jm0002432 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine