Compound Detail
CHEMBL2169969
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Basic Information
| ChEMBL ID | CHEMBL2169969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDFLDQVKOMEZEL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
256.4
MW (Da)
2.03
ALogP
4
HBA
1
HBD
31.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 7.87 | 7.87 | 13.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 13.49 | nM | 7.87 | Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells af... | 23006041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23006041 | 10.1021/jm300801u | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine