Compound Detail
CHEMBL292204
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Basic Information
| ChEMBL ID | CHEMBL292204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRCZJVPFEIPMMN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
3.28
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.07 | 8.07 | 8.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.07 | 8.07 | 8.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 8.5 | nM | 8.07 | Evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat br... | 3172131 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 8.5 | nM | 8.07 | Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat stri... | 2754715 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 8.5 | nM | 8.07 | Displacement of [3H]-5-OH-DPAT from human 5-HT1AR expressed in human HEK293 cell... | 33839253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3172131 | 10.1021/jm00118a018 | 5-hydroxytryptamine receptor 1A | 2 |
| 2754715 | 10.1021/jm00128a039 | 5-hydroxytryptamine receptor 1A | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine