Compound Detail
CHEMBL172947
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 | CHEMBL172947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTJZHVCGODLWLI-NZAAYYPMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
4.12
ALogP
2
HBA
2
HBD
48.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.45 | 6.45 | 357.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 14.0 | nM | 7.85 | Binding affinity was measured against 5-hydroxytryptamine 1A receptor by displac... | 7699712 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 357.0 | nM | 6.45 | Binding affinity was measured against 5-hydroxytryptamine 2A receptor by displac... | 7699712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7699712 | 10.1021/jm00006a015 | 5-hydroxytryptamine receptor 2A | 1 |
| 7699712 | 10.1021/jm00006a015 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine