Compound Detail
CHEMBL3617549
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 | CHEMBL3617549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHGAOXXHXZSEGT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
3.60
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.06
Ki 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | Ki | 8.29 | 8.29 | 5.1 | 1 |
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | EC50 | 7.06 | 7.06 | 87.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F | Ki | = | 5.1 | nM | 8.29 | Binding affinity to human 5HT1F receptor by radioligand binding assay | 26271587 |
| 5-hydroxytryptamine receptor 1F | EC50 | = | 87.0 | nM | 7.06 | Agonist activity at human 5HT1F receptor expressed in LM(tk-) cells by [35S]GTPg... | 26271587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26271587 | 10.1016/j.bmcl.2015.07.042 | 5-hydroxytryptamine receptor 1F | 3 |
| 26271587 | 10.1016/j.bmcl.2015.07.042 | 5-hydroxytryptamine receptor 1B | 2 |
| 26271587 | 10.1016/j.bmcl.2015.07.042 | 5-HT1A/5-HT1F | 1 |
| 26271587 | 10.1016/j.bmcl.2015.07.042 | 5-HT1B/5-HT1F | 1 |
| 26271587 | 10.1016/j.bmcl.2015.07.042 | 5-HT1D/5-HT1F | 1 |
Data from ChEMBL 36 via Core Engine