Compound Detail
CHEMBL1782963
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Basic Information
| ChEMBL ID | CHEMBL1782963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBQYUAFRIGDERL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
6.34
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.5
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | IC50 | 6.01 | 6.01 | 987.0 | 1 |
| Fatty acid-binding protein, heart CHEMBL3344 | Ki | 5.28 | 5.28 | 5240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte | Ki | = | 32.0 | nM | 7.5 | Displacement of fluorescent 1-anilinonapthalene 8-sulfonic acid from human a-FAB... | 21481589 |
| Fatty acid-binding protein, adipocyte | IC50 | = | 987.0 | nM | 6.01 | Inhibition of human FABP4 by 8-anilino-1-naphthalenesulfonic acid based fluoresc... | 23395658 |
| Fatty acid-binding protein, heart | Ki | = | 5240.0 | nM | 5.28 | Displacement of fluorescent 1-anilinonapthalene 8-sulfonic acid from human h-FAB... | 21481589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21481589 | 10.1016/j.bmcl.2011.03.063 | Fatty acid-binding protein, adipocyte | 1 |
| 21481589 | 10.1016/j.bmcl.2011.03.063 | Fatty acid-binding protein, heart | 1 |
| 23395658 | 10.1016/j.bmcl.2013.01.054 | Fatty acid-binding protein, adipocyte | 1 |
| 23395658 | 10.1016/j.bmcl.2013.01.054 | Fatty acid-binding protein, heart | 1 |
Data from ChEMBL 36 via Core Engine