Compound Detail
CHEMBL4208886
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 | CHEMBL4208886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRXDAORSNRROBO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4300527 |
| Active Moiety | CHEMBL4300527 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.18
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.36 | 7.36 | 44.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.67 | 6.67 | 213.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 44.1 | nM | 7.36 | Displacement of [3H]-8-OH-DPAT from serotonin 5-HT1A receptor in Sprague-Dawley ... | 28943244 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 213.0 | nM | 6.67 | Displacement of [3H]ketanserin from serotonin 5-HT2A receptor in Sprague-Dawley ... | 28943244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28943244 | 10.1016/j.bmc.2017.09.018 | 5-hydroxytryptamine receptor 1A | 1 |
| 28943244 | 10.1016/j.bmc.2017.09.018 | 5-hydroxytryptamine receptor 2A | 1 |
| 28943244 | 10.1016/j.bmc.2017.09.018 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine