Compound Detail
CHEMBL3692986
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Basic Information
| ChEMBL ID | CHEMBL3692986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAIHEJAXZODYPU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.42
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.44 | 9.38 | 0.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.36 | nM | 9.44 | Radioligand Binding Assay: For binding analysis vs. the human receptor, samples ... | - |
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.41 | nM | 9.39 | Radioligand Binding Assay: For binding analysis vs. the human receptor, samples ... | - |
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.49 | nM | 9.31 | Radioligand Binding Assay: For binding analysis vs. the human receptor, samples ... | - |
Data from ChEMBL 36 via Core Engine