Compound Detail
CHEMBL5199182
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Basic Information
| ChEMBL ID | CHEMBL5199182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCFBAQLBLLIFNB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
4.31
ALogP
7
HBA
0
HBD
54.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.68 | 7.68 | 20.9 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.64 | 6.64 | 229.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 20.89 | nM | 7.68 | Displacement of [3H]-8-OH-DAPT from human 5-HT1A receptor expressed in CHO-K1 ce... | 35248836 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 229.09 | nM | 6.64 | Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in CHO-K1 cells me... | 35248836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35248836 | 10.1016/j.ejmech.2022.114218 | Mus musculus | 2 |
| 35248836 | 10.1016/j.ejmech.2022.114218 | 5-hydroxytryptamine receptor 1A | 1 |
| 35248836 | 10.1016/j.ejmech.2022.114218 | 5-hydroxytryptamine receptor 7 | 1 |
| 35248836 | 10.1016/j.ejmech.2022.114218 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
Data from ChEMBL 36 via Core Engine