Compound Detail
CHEMBL23505
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 | CHEMBL23505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFSWFUSGDYUZKT-WLHGVMLRSA-N |
| Parent Compound | CHEMBL1178366 |
| Active Moiety | CHEMBL1178366 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
2.37
ALogP
5
HBA
1
HBD
49.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.72
Ki 1 meas. best 9.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.13 | 9.13 | 0.7 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Kd | 7.72 | 7.72 | 19.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.74 | nM | 9.13 | In vitro ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor ... | 7731013 |
| Adrenergic receptor alpha-1 | Kd | = | 19.05 | nM | 7.72 | Antagonistic activity at Alpha-1 adrenergic receptor was performed on ring segme... | 7731013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7731013 | 10.1021/jm00008a005 | 5-hydroxytryptamine receptor 1A | 1 |
| 7731013 | 10.1021/jm00008a005 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine