Compound Detail
CHEMBL3410158
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Cc1nc([C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)no1
Basic Information
| ChEMBL ID | CHEMBL3410158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGYNBTCNYOMMNG-HFJQGTKSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
542.5
MW (Da)
2.86
ALogP
7
HBA
2
HBD
143.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 3 CHEMBL3407319 | IC50 | 6.92 | 6.92 | 119.0 | 1 |
| Neurogenic locus notch homolog protein 1 CHEMBL2146346 | IC50 | 6.77 | 6.77 | 169.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 3 | IC50 | = | 119.0 | nM | 6.92 | Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cel... | 25857941 |
| Neurogenic locus notch homolog protein 1 | IC50 | = | 169.0 | nM | 6.77 | Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cel... | 25857941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25857941 | 10.1016/j.bmcl.2015.03.038 | Neurogenic locus notch homolog protein 3 | 1 |
| 25857941 | 10.1016/j.bmcl.2015.03.038 | Neurogenic locus notch homolog protein 1 | 1 |
| 25857941 | 10.1016/j.bmcl.2015.03.038 | Liver microsome | 1 |
| 25857941 | 10.1016/j.bmcl.2015.03.038 | Liver | 1 |
Data from ChEMBL 36 via Core Engine