Compound Detail
CHEMBL3967117
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Basic Information
| ChEMBL ID | CHEMBL3967117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BACJEQJZMAJMGA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.0
MW (Da)
4.42
ALogP
5
HBA
2
HBD
72.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | IC50 | 10.41 | 10.41 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | IC50 | = | 0.039 | nM | 10.41 | Binding Assay: The binding affinity of the compounds for a human 5-HT4 receptor ... | - |
Data from ChEMBL 36 via Core Engine