Compound Detail
CHEMBL4211987
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Basic Information
| ChEMBL ID | CHEMBL4211987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTELFZRTMSTPBB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
3.81
ALogP
4
HBA
2
HBD
64.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 4.0 | nM | 8.4 | Binding affinity to 5-HT7 receptor (unknown origin) | 29767995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29767995 | 10.1021/acs.jmedchem.7b01898 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine