Compound Detail
CHEMBL4513458
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
CCC(=O)Nc1nc(C)c(-c2cn(S(=O)(=O)c3cccc4ccccc34)c3ccc(OC)cc23)[nH]1
Basic Information
| ChEMBL ID | CHEMBL4513458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLMCUAUCHRYHEX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
5.09
ALogP
6
HBA
2
HBD
106.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells measu... | 31229883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31229883 | 10.1016/j.ejmech.2019.06.001 | 5-hydroxytryptamine receptor 1A | 1 |
| 31229883 | 10.1016/j.ejmech.2019.06.001 | 5-hydroxytryptamine receptor 2A | 1 |
| 31229883 | 10.1016/j.ejmech.2019.06.001 | D(2) dopamine receptor | 1 |
| 31229883 | 10.1016/j.ejmech.2019.06.001 | 5-hydroxytryptamine receptor 6 | 1 |
| 31229883 | 10.1016/j.ejmech.2019.06.001 | 5-hydroxytryptamine receptor 7 | 1 |
| 31229883 | 10.1016/j.ejmech.2019.06.001 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine