Compound Detail
CHEMBL222106
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Basic Information
| ChEMBL ID | CHEMBL222106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFEVUBTYULCAIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.02
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.6 | 6.6 | 253.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 253.0 | nM | 6.6 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Wistar Han rat hippocampal ... | 15588097 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15588097 | 10.1021/jm049702f | 5-hydroxytryptamine receptor 7 | 1 |
| 15588097 | 10.1021/jm049702f | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine