Compound Detail
CHEMBL99591
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Basic Information
| ChEMBL ID | CHEMBL99591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVSGADMNEWLGPY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
1.19
ALogP
6
HBA
1
HBD
62.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 7.04 | 7.04 | 91.9 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 7.04 | 7.04 | 91.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 91.9 | nM | 7.04 | Tested for 5-hydroxytryptamine 4 receptor antagonist activity | 12540230 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 91.1 | nM | 7.04 | Binding affinity against 5-hydroxytryptamine 4 receptor in guinea pig striatum u... | 10425096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425096 | 10.1021/jm981098j | 5-hydroxytryptamine receptor 4 | 3 |
| 12540230 | 10.1021/jm020099f | 5-hydroxytryptamine receptor 4 | 2 |
| 10425096 | 10.1021/jm981098j | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine