Compound Detail
CHEMBL178113
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 | CHEMBL178113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXJJPEGOCDHIOJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
2.34
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.97 | 6.97 | 107.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 107.15 | nM | 6.97 | Inhibitory constant value against the 5-hydroxytryptamine 1A receptor | 15686938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686938 | 10.1016/j.bmcl.2004.12.004 | Unchecked | 2 |
| 15686938 | 10.1016/j.bmcl.2004.12.004 | Alpha-1A adrenergic receptor | 1 |
| 15686938 | 10.1016/j.bmcl.2004.12.004 | Alpha-1B adrenergic receptor | 1 |
| 15686938 | 10.1016/j.bmcl.2004.12.004 | Alpha-1D adrenergic receptor | 1 |
| 15686938 | 10.1016/j.bmcl.2004.12.004 | Alpha adrenergic receptor 1A and 1D | 1 |
| 15686938 | 10.1016/j.bmcl.2004.12.004 | Alpha adrenergic receptor 1A and 1B | 1 |
| 15686938 | 10.1016/j.bmcl.2004.12.004 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine