Compound Detail
CHEMBL1085797
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Basic Information
| ChEMBL ID | CHEMBL1085797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIPPCUFMLYMACZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.11
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte CHEMBL2083 | IC50 | 5.39 | 4.82 | 4100.0 | 2 |
| Fatty acid-binding protein, heart CHEMBL3344 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte | IC50 | = | 4100.0 | nM | 5.39 | Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expre... | 20471252 |
| Fatty acid-binding protein, heart | IC50 | = | 6300.0 | nM | 5.2 | Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP3 expre... | 20471252 |
| Fatty acid-binding protein, adipocyte | IC50 | = | 56300.0 | nM | 4.25 | Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expre... | 20471252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20471252 | 10.1016/j.bmcl.2010.04.095 | Fatty acid-binding protein, adipocyte | 3 |
| 20471252 | 10.1016/j.bmcl.2010.04.095 | Fatty acid-binding protein, heart | 1 |
| 20471252 | 10.1016/j.bmcl.2010.04.095 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine