Compound Detail
CHEMBL273490
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL273490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLJFTICUTYVZDG-GOSISDBHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.6
MW (Da)
4.40
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.07 | 6.07 | 851.1 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 5.49 | 5.49 | 3235.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 5.623 | nM | 8.25 | Binding affinity towards 5-hydroxytryptamine 2 receptor in rat frontal cortex us... | 3373482 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 851.14 | nM | 6.07 | Binding affinity towards 5-hydroxytryptamine 1A receptor in rat brain membrane u... | 3373482 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 3235.94 | nM | 5.49 | Binding affinity against 5-HT1B receptor in rat frontal cortex using [3H]-5-HT i... | 3373482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3373482 | 10.1021/jm00401a007 | 5-hydroxytryptamine receptor 1A | 1 |
| 3373482 | 10.1021/jm00401a007 | 5-hydroxytryptamine receptor 1B | 1 |
| 3373482 | 10.1021/jm00401a007 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine