Compound Detail
CHEMBL315664
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Basic Information
| ChEMBL ID | CHEMBL315664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCVTUCUKQJLFEV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
2.71
ALogP
5
HBA
4
HBD
116.9
PSA (Ų)
0.22
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 29.0 | nM | 7.54 | 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