Compound Detail
CHEMBL2334262
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Basic Information
| ChEMBL ID | CHEMBL2334262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIMIWBGHLPPYFN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
5.58
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, heart CHEMBL3344 | IC50 | 5.22 | 5.22 | 6030.0 | 1 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, heart | IC50 | = | 6030.0 | nM | 5.22 | Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluoresc... | 23395658 |
| Fatty acid-binding protein, adipocyte | IC50 | = | 16600.0 | nM | 4.78 | Inhibition of human FABP4 by 8-anilino-1-naphthalenesulfonic acid based fluoresc... | 23395658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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