Compound Detail
CHEMBL4159670
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4159670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAZWRMSKNVPDGX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
4.69
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 6.34 | 6.34 | 454.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 457.09 | nM | 6.34 | Agonist activity at human GPR109a expressed in HTLA cells assessed as increase i... | 29709786 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 454.0 | nM | 6.34 | Agonist activity at human GPR109a expressed in HTLA cells assessed as increase i... | 29709786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29709786 | 10.1016/j.ejmech.2018.04.037 | Hydroxycarboxylic acid receptor 2 | 4 |
Data from ChEMBL 36 via Core Engine