Compound Detail
CHEMBL157173
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Basic Information
| ChEMBL ID | CHEMBL157173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJIMRHWFODYMMK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.9
MW (Da)
2.51
ALogP
5
HBA
1
HBD
61.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.9 | 8.9 | 1.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 83.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.259 | nM | 8.9 | Binding affinity against human 5-hydroxytryptamine 6 receptor | 11140733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11140733 | 10.1016/s0960-894x(00)00597-7 | Rattus norvegicus | 2 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine