Compound Detail
CHEMBL179814
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Basic Information
| ChEMBL ID | CHEMBL179814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGSFFLVTUXMRJK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
4.89
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.62
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 19.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.0 | nM | 9.0 | Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells | 24850589 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human recombinant 5HT6 receptor expressed in CHO cells | 24850589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24850589 | 10.1021/jm5003952 | 5-hydroxytryptamine receptor 6 | 2 |
| 15771424 | 10.1021/jm049615n | 5-hydroxytryptamine receptor 6 | 1 |
| 24850589 | 10.1021/jm5003952 | Rattus norvegicus | 1 |
| 24850589 | 10.1021/jm5003952 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine