Compound Detail
CHEMBL4755237
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Basic Information
| ChEMBL ID | CHEMBL4755237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQRVPZVSEBCKMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.56
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 5.76 | 5.76 | 1751.0 | 1 |
| G-protein coupled bile acid receptor 1 CHEMBL1255150 | EC50 | 5.46 | 5.46 | 3500.0 | 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 | = | 1751.0 | nM | 5.76 | Agonist activity at human TGR5 transfected in HEK293T cells assessed intracellul... | 33440321 |
| G-protein coupled bile acid receptor 1 | EC50 | = | 3500.0 | nM | 5.46 | 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 | G-protein coupled bile acid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine