Compound Detail
CHEMBL5612235
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O=S(=O)(c1ccccc1-c1ccc(O)cc1)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
Basic Information
| ChEMBL ID | CHEMBL5612235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGTWKDPLANRMOY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
3.30
ALogP
6
HBA
1
HBD
107.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, liver CHEMBL5421 | IC50 | 5.74 | 5.74 | 1820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, liver | IC50 | = | 1820.0 | nM | 5.74 | Inhibition of human FABP1 incubated for 3 mins by fluorescence based analysis | 39067439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39067439 | 10.1016/j.ejmech.2024.116705 | Fatty acid-binding protein, liver | 2 |
Data from ChEMBL 36 via Core Engine