Compound Detail
CHEMBL5399395
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Basic Information
| ChEMBL ID | CHEMBL5399395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNNQBMCCWKUMNJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
517.4
MW (Da)
6.49
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.39
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL1255150 | EC50 | 7.98 | 7.98 | 10.5 | 1 |
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 7.95 | 7.95 | 11.2 | 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 | = | 10.5 | nM | 7.98 | Agonist activity at mouse TGR5 expressed in human HEK293 cells co-expressing CRE... | 36029562 |
| G-protein coupled bile acid receptor 1 | EC50 | = | 11.2 | nM | 7.95 | Agonist activity at human TGR5 expressed in human HEK293 cells co-expressing CRE... | 36029562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36029562 | 10.1016/j.ejmech.2022.114697 | G-protein coupled bile acid receptor 1 | 2 |
| 36029562 | 10.1016/j.ejmech.2022.114697 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine