Compound Detail
CHEMBL427320
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Basic Information
| ChEMBL ID | CHEMBL427320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYGWKDDRPATRQB-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
386.2
MW (Da)
3.40
ALogP
5
HBA
1
HBD
76.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte CHEMBL2083 | IC50 | 5.89 | 5.89 | 1300.0 | 2 |
| Fatty acid-binding protein, intestinal CHEMBL4879 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Fatty acid-binding protein, heart CHEMBL3344 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
| Fatty acid-binding protein 5 CHEMBL3674 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte | IC50 | = | 1300.0 | nM | 5.89 | In vitro inhibitory concentration against adipocyte fatty acid binding protein(A... | 15357969 |
| Fatty acid-binding protein, adipocyte | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of FABP4 (unknown origin) by fluorescence polarization assay | 28738306 |
| Fatty acid-binding protein, intestinal | IC50 | = | 3900.0 | nM | 5.41 | In vitro inhibitory concentration against intestinal fatty acid binding protein(... | 15357969 |
| Fatty acid-binding protein, heart | IC50 | = | 9800.0 | nM | 5.01 | In vitro inhibitory concentration against heart and muscle fatty acid binding pr... | 15357969 |
| Fatty acid-binding protein 5 | IC50 | = | 14000.0 | nM | 4.85 | In vitro inhibitory concentration against epithelial fatty acid binding protein(... | 15357969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| 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 |
| 15357969 | 10.1016/j.bmcl.2004.06.057 | Fatty acid-binding protein, intestinal | 1 |
| - | 10.6019/CHEMBL4513161 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513161 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513161 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513161 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513161 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513161 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513161 | Erythrocyte | 1 |
| - | 10.6019/CHEMBL4513161 | HEK293 | 1 |
| 28738306 | 10.1016/j.ejmech.2017.07.022 | Fatty acid-binding protein, adipocyte | 1 |
Data from ChEMBL 36 via Core Engine