Compound Detail
CHEMBL4798874
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Basic Information
| ChEMBL ID | CHEMBL4798874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHXAXCBLZXNWPD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.0
MW (Da)
5.36
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 410.0 | nM | 6.39 | Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells asse... | 32442850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32442850 | 10.1016/j.ejmech.2020.112395 | ADMET | 1 |
| 32442850 | 10.1016/j.ejmech.2020.112395 | 5-hydroxytryptamine receptor 7 | 1 |
| 32442850 | 10.1016/j.ejmech.2020.112395 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine