Compound Detail
CHEMBL475969
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Basic Information
| ChEMBL ID | CHEMBL475969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCXJCTGPMJFTES-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
4.92
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.85
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | EC50 | 7.85 | 7.85 | 14.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 5.96 | 5.96 | 1097.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | EC50 | = | 14.0 | nM | 7.85 | Agonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as s... | 19159187 |
| Alpha-2A adrenergic receptor | IC50 | = | 1097.0 | nM | 5.96 | Inhibition of human adrenergic alpha2A receptor | 19159187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19159187 | 10.1021/jm8009469 | 5-hydroxytryptamine receptor 6 | 3 |
| 19159187 | 10.1021/jm8009469 | Alpha-2A adrenergic receptor | 1 |
| 19159187 | 10.1021/jm8009469 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine