Compound Detail
CHEMBL2336217
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Basic Information
| ChEMBL ID | CHEMBL2336217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQAGJHIMXNSATK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.15
ALogP
6
HBA
0
HBD
84.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 5.54 | 5.54 | 2910.0 | 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 | = | 2910.0 | nM | 5.54 | Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 rece... | 23337601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23337601 | 10.1016/j.bmcl.2012.12.076 | G-protein coupled bile acid receptor 1 | 2 |
| 23337601 | 10.1016/j.bmcl.2012.12.076 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine