Compound Detail
CHEMBL238012
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Basic Information
| ChEMBL ID | CHEMBL238012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRBYYBWDUNSVAW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.2
MW (Da)
3.25
ALogP
4
HBA
2
HBD
53.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Long-chain fatty acid transport protein 2 CHEMBL4326 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 4.87 | 4.87 | 13600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Long-chain fatty acid transport protein 2 | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of FATP2 in human HepG2 cells assessed as decrease in fatty acid tran... | 27446528 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 13600.0 | nM | 4.87 | Inhibition of ADAMTS5 by FRET assay | 17804234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17804234 | 10.1016/j.bmcl.2007.07.048 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 1 |
| 27446528 | 10.1039/c6md00043f | Mus musculus | 1 |
| 27446528 | 10.1039/c6md00043f | Long-chain fatty acid transport protein 2 | 1 |
Data from ChEMBL 36 via Core Engine