Compound Detail
CHEMBL471741
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Basic Information
| ChEMBL ID | CHEMBL471741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCXVLPCQWWFEQW-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.77
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.96
Kd 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, liver CHEMBL5738 | Ki | 5.96 | 5.44 | 1100.0 | 2 |
| Fatty acid-binding protein, liver CHEMBL5421 | Kd | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, liver | Ki | = | 1100.0 | nM | 5.96 | Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FAB... | 18533710 |
| Fatty acid-binding protein, liver | Kd | = | 2000.0 | nM | 5.7 | Binding affinity to human L-FABP | 18533710 |
| Fatty acid-binding protein, liver | Ki | = | 12000.0 | nM | 4.92 | Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FAB... | 18533710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18533710 | 10.1021/jm701192w | Fatty acid-binding protein, liver | 3 |
Data from ChEMBL 36 via Core Engine