Compound Detail
CHEMBL184817
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Basic Information
| ChEMBL ID | CHEMBL184817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAJJJOMMWPVJMH-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
3.27
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, heart CHEMBL3344 | IC50 | 5.24 | 5.24 | 5700.0 | 2 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | IC50 | 5.03 | 5.03 | 9400.0 | 2 |
| Fatty acid-binding protein 5 CHEMBL3674 | IC50 | 4.52 | 4.52 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, heart | IC50 | = | 5700.0 | nM | 5.24 | In vitro inhibitory concentration against heart and muscle fatty acid binding pr... | 15357969 |
| Fatty acid-binding protein, heart | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of FABP3 (unknown origin) by fluorescence polarization assay | 28738306 |
| Fatty acid-binding protein, adipocyte | IC50 | = | 9400.0 | nM | 5.03 | In vitro inhibitory concentration against adipocyte fatty acid binding protein(A... | 15357969 |
| Fatty acid-binding protein, adipocyte | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of FABP4 (unknown origin) by fluorescence polarization assay | 28738306 |
| Fatty acid-binding protein 5 | IC50 | = | 30000.0 | nM | 4.52 | In vitro inhibitory concentration against epithelial fatty acid binding protein(... | 15357969 |
| Fatty acid-binding protein 5 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of FABP5 (unknown origin) by fluorescence polarization assay | 28738306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15357969 | 10.1016/j.bmcl.2004.06.057 | Fatty acid-binding protein, adipocyte | 1 |
| 15357969 | 10.1016/j.bmcl.2004.06.057 | Fatty acid-binding protein, heart | 1 |
| 15357969 | 10.1016/j.bmcl.2004.06.057 | Fatty acid-binding protein 5 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 28738306 | 10.1016/j.ejmech.2017.07.022 | Fatty acid-binding protein, heart | 1 |
| 28738306 | 10.1016/j.ejmech.2017.07.022 | Fatty acid-binding protein, adipocyte | 1 |
| 28738306 | 10.1016/j.ejmech.2017.07.022 | Fatty acid-binding protein 5 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine