Compound Detail
CHEMBL574827
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 | CHEMBL574827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGTCJFHULKEJKG-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.9
MW (Da)
3.65
ALogP
5
HBA
0
HBD
41.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.28 | 7.79 | 5.3 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.17 | 7.17 | 67.6 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.3 | 6.3 | 502.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 5.3 | nM | 8.28 | Displacement of [3H]-5-HT from human 5-HT1A receptor expressed in CHOK1 cells af... | 25759032 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 50.12 | nM | 7.3 | Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed i... | 19846239 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 50.0 | nM | 7.3 | Binding affinity to rat hippocampus 5-HT1A receptor | 25759032 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 67.61 | nM | 7.17 | Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain... | 19846239 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 502.0 | nM | 6.3 | Displacement of [3H]-8-OH-DPAT from human 5-HT7 receptor expressed in CHOK1 cell... | 25759032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25759032 | 10.1016/j.bmcl.2015.02.042 | 5-hydroxytryptamine receptor 1A | 2 |
| 19846239 | 10.1016/j.ejmech.2009.09.008 | 5-hydroxytryptamine receptor 1A | 1 |
| 19846239 | 10.1016/j.ejmech.2009.09.008 | 5-hydroxytryptamine receptor 2A | 1 |
| 25759032 | 10.1016/j.bmcl.2015.02.042 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine