Compound Detail
CHEMBL3400157
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Basic Information
| ChEMBL ID | CHEMBL3400157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHGKEORTCHVBQH-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
4.30
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, heart CHEMBL3344 | IC50 | 6.35 | 5.82 | 450.0 | 2 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Fatty acid-binding protein 5 CHEMBL3674 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, heart | IC50 | = | 450.0 | nM | 6.35 | Inhibition of FABP4 (unknown origin) relative to linoleic acid | 25461324 |
| Fatty acid-binding protein, heart | IC50 | = | 5160.0 | nM | 5.29 | Inhibition of FABP3 (unknown origin) relative to linoleic acid | 25461324 |
| Fatty acid-binding protein, adipocyte | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of FABP4 (unknown origin) | 25461324 |
| Fatty acid-binding protein 5 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of FABP5 (unknown origin) | 25461324 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25461324 | 10.1016/j.ejmech.2014.11.020 | Fatty acid-binding protein, adipocyte | 3 |
| 25461324 | 10.1016/j.ejmech.2014.11.020 | Fatty acid-binding protein, heart | 2 |
| 25461324 | 10.1016/j.ejmech.2014.11.020 | Unchecked | 1 |
| 25461324 | 10.1016/j.ejmech.2014.11.020 | Fatty acid-binding protein 5 | 1 |
Data from ChEMBL 36 via Core Engine