Compound Detail
CHEMBL183704
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Basic Information
| ChEMBL ID | CHEMBL183704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFVADYUATPPOLR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
1.58
ALogP
5
HBA
2
HBD
79.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 6.48 | 6.48 | 330.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 4.99 | 4.99 | 10240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 330.0 | nM | 6.48 | Binding affinity towards human 5-hydroxytryptamine 1D receptor | 15324890 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 10240.0 | nM | 4.99 | Binding affinity towards human 5-hydroxytryptamine 1B receptor | 15324890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324890 | 10.1016/j.bmcl.2004.06.085 | 5-hydroxytryptamine receptor 1B | 1 |
| 15324890 | 10.1016/j.bmcl.2004.06.085 | 5-hydroxytryptamine receptor 1D | 1 |
| 15324890 | 10.1016/j.bmcl.2004.06.085 | Serotonin 1 receptors; 5-HT1B & 5-HT1D | 1 |
Data from ChEMBL 36 via Core Engine