Compound Detail
CHEMBL173949
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Basic Information
| ChEMBL ID | CHEMBL173949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXBIYXIMLSXCCJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
4.31
ALogP
4
HBA
1
HBD
58.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.04
Ki 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | EC50 | 7.04 | 7.04 | 91.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F | Ki | = | 2.3 | nM | 8.64 | In vitro binding affinity for human 5-hydroxytryptamine 1F receptor | 14684321 |
| 5-hydroxytryptamine receptor 1F | EC50 | = | 91.7 | nM | 7.04 | Concentration required for stimulation of [35S]GTP-gamma-S, binding in mouse LM(... | 14684321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684321 | 10.1016/j.bmcl.2003.09.091 | Unchecked | 3 |
| 14684321 | 10.1016/j.bmcl.2003.09.091 | 5-hydroxytryptamine receptor 1F | 2 |
| 14684321 | 10.1016/j.bmcl.2003.09.091 | Serotonin (5-HT) receptor | 1 |
Data from ChEMBL 36 via Core Engine