Compound Detail
CHEMBL3410504
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Basic Information
| ChEMBL ID | CHEMBL3410504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRWPIRQRZJFUMF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
3.58
ALogP
6
HBA
1
HBD
71.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.34
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.34 | 4.34 | 45700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cell membr... | 25637882 |
| ADMET | IC50 | = | 45700.0 | nM | 4.34 | Cytotoxicity against human SH-SY5Y cells assessed as inhibition of cell growth a... | 25637882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25637882 | 10.1016/j.ejmech.2015.01.052 | ADMET | 1 |
| 25637882 | 10.1016/j.ejmech.2015.01.052 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine