Compound Detail
CHEMBL3359028
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O=C(O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](c3ccccc3C(F)(F)F)C[C@H]2C1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3359028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMSUFFXERQWSIB-LJCCNALRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
4.67
ALogP
2
HBA
2
HBD
69.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinol-binding protein 4 CHEMBL3100 | IC50 | 9.08 | 7.995 | 0.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinol-binding protein 4 | IC50 | = | 0.829 | nM | 9.08 | Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expr... | 25210858 |
| Retinol-binding protein 4 | IC50 | = | 124.0 | nM | 6.91 | Displacement of [3H]retinol from biotinylated human RBP4 by scintillation proxim... | 25210858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25210858 | 10.1021/jm5010013 | Retinol-binding protein 4 | 2 |
Data from ChEMBL 36 via Core Engine