Compound Detail
CHEMBL5405562
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Basic Information
| ChEMBL ID | CHEMBL5405562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOFZGXVAUNZPJZ-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.05
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.64 | 5.64 | 2295.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.52 | 5.52 | 2999.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 4.39 | 4.39 | 40600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2185 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin) assessed as inhibi... | 38190615 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 130.0 | nM | 6.89 | Displacement of [3H]-Ketanserin from 5-HT2A receptor (unknown origin) assessed a... | 38190615 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 2295.0 | nM | 5.64 | Displacement of [3H]-5-CT from 5-HT7 receptor (unknown origin) assessed as inhib... | 38190615 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2999.0 | nM | 5.52 | Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin) assessed as... | 38190615 |
| SH-SY5Y | IC50 | = | 40600.0 | nM | 4.39 | Cytotoxicity against human SH-SY5Y cells assessed as inhibition of cell growth i... | 38190615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38190615 | 10.1021/acs.jmedchem.3c02148 | ADMET | 12 |
| 38190615 | 10.1021/acs.jmedchem.3c02148 | Unchecked | 6 |
| 38190615 | 10.1021/acs.jmedchem.3c02148 | SH-SY5Y | 6 |
| 38190615 | 10.1021/acs.jmedchem.3c02148 | 5-hydroxytryptamine receptor 6 | 2 |
| 38190615 | 10.1021/acs.jmedchem.3c02148 | No relevant target | 2 |
| 38190615 | 10.1021/acs.jmedchem.3c02148 | 5-hydroxytryptamine receptor 1A | 1 |
| 38190615 | 10.1021/acs.jmedchem.3c02148 | 5-hydroxytryptamine receptor 2A | 1 |
| 38190615 | 10.1021/acs.jmedchem.3c02148 | 5-hydroxytryptamine receptor 7 | 1 |
| 38190615 | 10.1021/acs.jmedchem.3c02148 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine