Compound Detail
CHEMBL182174
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 | CHEMBL182174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIUOACOVBKELNG-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.12
ALogP
7
HBA
3
HBD
98.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 6.52 | 6.52 | 300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 12.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.0 | nM | 8.52 | Binding affinity against 5-Hydroxy tryptamine 7 receptor | 15261279 |
| Adrenergic receptor alpha-1 | Ki | = | 300.0 | nM | 6.52 | Binding affinity against Alpha1 adrenergic receptor | 15261279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261279 | 10.1016/j.bmcl.2004.06.008 | 5-hydroxytryptamine receptor 7 | 1 |
| 15261279 | 10.1016/j.bmcl.2004.06.008 | Rattus norvegicus | 1 |
| 15261279 | 10.1016/j.bmcl.2004.06.008 | 5-hydroxytryptamine receptor 6 | 1 |
| 15261279 | 10.1016/j.bmcl.2004.06.008 | Adrenergic receptor alpha-1 | 1 |
| 15261279 | 10.1016/j.bmcl.2004.06.008 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine