Compound Detail
CHEMBL4779084
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Basic Information
| ChEMBL ID | CHEMBL4779084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRSLHVSOSFYKNS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
5.04
ALogP
7
HBA
0
HBD
85.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 9.05 | 9.05 | 0.9 | 1 |
| G-protein coupled bile acid receptor 1 CHEMBL1255150 | EC50 | 7.64 | 7.64 | 23.1 | 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 | = | 0.9 | nM | 9.05 | Agonist activity at human TGR5 expressed in HEK293 cells assessed as CRE-driven ... | 32682201 |
| G-protein coupled bile acid receptor 1 | EC50 | = | 23.1 | nM | 7.64 | Agonist activity at mouse TGR5 expressed in HEK293 cells assessed as CRE-driven ... | 32682201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32682201 | 10.1016/j.ejmech.2020.112619 | G-protein coupled bile acid receptor 1 | 2 |
| 32682201 | 10.1016/j.ejmech.2020.112619 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine