Compound Detail
CHEMBL1829170
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Basic Information
| ChEMBL ID | CHEMBL1829170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCWBKYDSSJIRNJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
320.2
MW (Da)
3.81
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 7.39 | 7.39 | 40.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 40.74 | nM | 7.39 | Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed... | 21854074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21854074 | 10.1021/jm2005699 | Unchecked | 58 |
| 21854074 | 10.1021/jm2005699 | Free fatty acid receptor 1 | 8 |
| 21854074 | 10.1021/jm2005699 | No relevant target | 4 |
| 21854074 | 10.1021/jm2005699 | HT-29 | 2 |
| 21854074 | 10.1021/jm2005699 | Plasma | 1 |
| 21854074 | 10.1021/jm2005699 | Liver | 1 |
| 21854074 | 10.1021/jm2005699 | Cytochrome P450 1A2 | 1 |
| 21854074 | 10.1021/jm2005699 | Cytochrome P450 2C9 | 1 |
| 21854074 | 10.1021/jm2005699 | Cytochrome P450 2C19 | 1 |
| 21854074 | 10.1021/jm2005699 | Cytochrome P450 2D6 | 1 |
| 21854074 | 10.1021/jm2005699 | Cytochrome P450 3A4 | 1 |
| 21854074 | 10.1021/jm2005699 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine