Compound Detail
CHEMBL4068227
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Basic Information
| ChEMBL ID | CHEMBL4068227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAMHKBLMSOWWNH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
503.5
MW (Da)
6.51
ALogP
6
HBA
0
HBD
39.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL1255150 | EC50 | 8.32 | 8.32 | 4.8 | 2 |
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 7.33 | 7.33 | 47.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 | EC50 | = | 4.8 | nM | 8.32 | Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accu... | 28414465 |
| G-protein coupled bile acid receptor 1 | EC50 | = | 4.8 | nM | 8.32 | TGR5/CRE Luciferase Assay: In the following tables TGR5 activation by compounds ... | - |
| G-protein coupled bile acid receptor 1 | EC50 | = | 47.0 | nM | 7.33 | Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accu... | 28414465 |
| G-protein coupled bile acid receptor 1 | EC50 | = | 47.0 | nM | 7.33 | TGR5/CRE Luciferase Assay: In the following tables TGR5 activation by compounds ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28414465 | 10.1021/acs.jmedchem.6b01873 | G-protein coupled bile acid receptor 1 | 4 |
Data from ChEMBL 36 via Core Engine