Compound Detail
CHEMBL4582321
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CCOc1ccccc1N1CCN(CCCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4582321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GETYZZFUWBQSDU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
557.7
MW (Da)
4.53
ALogP
7
HBA
1
HBD
79.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | IC50 | = | 12.0 | nM | 7.92 | Antagonist activity at 5-HT7 receptor (unknown origin) | 31581003 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 500.0 | nM | 6.3 | Antagonist activity at 5-HT1A receptor (unknown origin) | 31581003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31581003 | 10.1016/j.ejmech.2019.111705 | 5-hydroxytryptamine receptor 7 | 1 |
| 31581003 | 10.1016/j.ejmech.2019.111705 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine