Compound Detail
CHEMBL212860
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Basic Information
| ChEMBL ID | CHEMBL212860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDODANGOYUAOQT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.3
MW (Da)
5.78
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein 5 CHEMBL3674 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein 5 | Ki | = | 3.0 | nM | 8.52 | Binding affinity to human kFABP | 16884313 |
| Fatty acid-binding protein, adipocyte | Ki | = | 16.0 | nM | 7.8 | Binding affinity to ap2 | 16884313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16884313 | 10.1021/jm060360i | Fatty acid-binding protein, adipocyte | 1 |
| 16884313 | 10.1021/jm060360i | Fatty acid-binding protein 5 | 1 |
Data from ChEMBL 36 via Core Engine