Compound Detail
CHEMBL94117
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Basic Information
| ChEMBL ID | CHEMBL94117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUWYMRWYZWOOJW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
3.13
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.54 | 9.54 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.29 | nM | 9.54 | Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2... | 2213824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2213824 | 10.1021/jm00172a006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine