Compound Detail
CHEMBL4759025
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Basic Information
| ChEMBL ID | CHEMBL4759025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUKYBSBCLLWVBB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
427.3
MW (Da)
4.87
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 8.17 | 8.17 | 6.8 | 1 |
| G-protein coupled bile acid receptor 1 CHEMBL1255150 | EC50 | 6.21 | 6.21 | 611.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 | EC50 | = | 6.8 | nM | 8.17 | Agonist activity at human TGR5 transfected in HEK293T cells assessed intracellul... | 33440321 |
| G-protein coupled bile acid receptor 1 | EC50 | = | 611.0 | nM | 6.21 | Agonist activity at mouse TGR5 transfected in HEK293T cells assessed intracellul... | 33440321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33440321 | 10.1016/j.bmc.2020.115972 | Bile acid receptor | 3 |
| 33440321 | 10.1016/j.bmc.2020.115972 | G-protein coupled bile acid receptor 1 | 2 |
| 33440321 | 10.1016/j.bmc.2020.115972 | ADMET | 2 |
| 33440321 | 10.1016/j.bmc.2020.115972 | Unchecked | 2 |
| 33440321 | 10.1016/j.bmc.2020.115972 | A549 | 1 |
| 33440321 | 10.1016/j.bmc.2020.115972 | HeLa | 1 |
| 33440321 | 10.1016/j.bmc.2020.115972 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine