Compound Detail
CHEMBL2181240
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Basic Information
| ChEMBL ID | CHEMBL2181240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTODFZWWDNJEKP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
6.20
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 8.55 | 8.55 | 2.8 | 1 |
| G-protein coupled bile acid receptor 1 CHEMBL1255150 | EC50 | 7.51 | 7.51 | 31.0 | 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 | = | 2.8 | nM | 8.55 | Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs b... | 23148522 |
| G-protein coupled bile acid receptor 1 | EC50 | = | 31.0 | nM | 7.51 | Agonist activity at mouse TGR5 expressed in HEK293 cells incubated for 5.5 hrs b... | 23148522 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23148522 | 10.1021/jm301071h | G-protein coupled bile acid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine