Compound Detail
CHEMBL5632895
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 | CHEMBL5632895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZTCHAWFZGJFCM-UHFFFAOYSA-N |
5
Targets
6
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
3.41
ALogP
7
HBA
2
HBD
80.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.37
IC50 2 meas. best 7.28
EC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | EC50 | 7.55 | 7.55 | 28.2 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.37 | 7.37 | 43.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.73 | 6.73 | 188.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.25 | 5.25 | 5669.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 4.25 | 4.25 | 55800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | EC50 | = | 28.18 | nM | 7.55 | Agonist activity at human 5HT6 receptor expressed in human 1321N1 cells incubate... | 37567058 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 43.0 | nM | 7.37 | Binding affinity to human 5HT6 receptor expressed in HEK293 cells assessed as in... | 37567058 |
| HepG2 | IC50 | = | 52.0 | nM | 7.28 | Neuroprotective activity against H202 induced oxidative stress in human HepG2 ce... | 37567058 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 188.0 | nM | 6.73 | Binding affinity to human 5HT2A receptor expressed in CHO-K1 cells assessed as i... | 37567058 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 5669.0 | nM | 5.25 | Binding affinity to human 5HT7 receptor expressed in HEK293 cells assessed as in... | 37567058 |
| SH-SY5Y | IC50 | = | 55800.0 | nM | 4.25 | Neuroprotective activity against H202 induced oxidative stress in human SH-SY5Y ... | 37567058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37567058 | 10.1016/j.ejmech.2023.115695 | 5-hydroxytryptamine receptor 6 | 4 |
| 37567058 | 10.1016/j.ejmech.2023.115695 | ADMET | 3 |
| 37567058 | 10.1016/j.ejmech.2023.115695 | Acetylcholinesterase | 1 |
| 37567058 | 10.1016/j.ejmech.2023.115695 | Cholinesterase | 1 |
| 37567058 | 10.1016/j.ejmech.2023.115695 | 5-hydroxytryptamine receptor 2A | 1 |
| 37567058 | 10.1016/j.ejmech.2023.115695 | 5-hydroxytryptamine receptor 7 | 1 |
| 37567058 | 10.1016/j.ejmech.2023.115695 | HepG2 | 1 |
| 37567058 | 10.1016/j.ejmech.2023.115695 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine