Compound Detail
CHEMBL4637409
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 | CHEMBL4637409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQGITIPSCMYMEN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.6
MW (Da)
2.73
ALogP
5
HBA
1
HBD
44.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.17
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 8.17 | 8.17 | 6.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.21 | 7.21 | 62.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | EC50 | = | 6.7 | nM | 8.17 | Partial agonist activity at recombinant human 5-HT1A expressed in CHO-K1 cells b... | 32631554 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 62.3 | nM | 7.21 | Antagonist activity at recombinant human 5-HT2A expressed in human U2OS cells by... | 32631554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32631554 | 10.1016/j.bmcl.2020.127358 | 5-hydroxytryptamine receptor 1A | 2 |
| 32631554 | 10.1016/j.bmcl.2020.127358 | 5-hydroxytryptamine receptor 2C | 1 |
| 32631554 | 10.1016/j.bmcl.2020.127358 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine