Compound Detail
CHEMBL2011591
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Basic Information
| ChEMBL ID | CHEMBL2011591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAXMULZSNYUPJB-ZVDSADNZSA-N |
| Parent Compound | CHEMBL2068857 |
| Active Moiety | CHEMBL2068857 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
2.36
ALogP
6
HBA
4
HBD
126.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membra... | 24900351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900351 | 10.1021/ml2000388 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine