Compound Detail
CHEMBL5632600
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Basic Information
| ChEMBL ID | CHEMBL5632600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWJXOOKEPZDKLV-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
1.39
ALogP
7
HBA
2
HBD
89.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.38
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.38 | 6.38 | 414.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.32 | 5.32 | 4817.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.09 | 5.09 | 8155.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 4.38 | 4.38 | 42100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 20.0 | nM | 7.7 | Neuroprotective activity against H202 induced oxidative stress in human HepG2 ce... | 37567058 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 414.0 | nM | 6.38 | Binding affinity to human 5HT6 receptor expressed in HEK293 cells assessed as in... | 37567058 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 4817.0 | nM | 5.32 | Binding affinity to human 5HT2A receptor expressed in CHO-K1 cells assessed as i... | 37567058 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 8155.0 | nM | 5.09 | Binding affinity to human 5HT7 receptor expressed in HEK293 cells assessed as in... | 37567058 |
| SH-SY5Y | IC50 | = | 42100.0 | nM | 4.38 | 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 | Acetylcholinesterase | 1 |
| 37567058 | 10.1016/j.ejmech.2023.115695 | Cholinesterase | 1 |
| 37567058 | 10.1016/j.ejmech.2023.115695 | 5-hydroxytryptamine receptor 6 | 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