Compound Detail
CHEMBL4112536
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NC(=O)[C@@H](C1CCC(C(F)(F)F)CC1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O
Basic Information
| ChEMBL ID | CHEMBL4112536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWOYRGKPVVYZKA-CHWYZSLQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
631.0
MW (Da)
6.00
ALogP
4
HBA
3
HBD
113.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 1 CHEMBL2146346 | IC50 | 7.92 | 7.92 | 11.9 | 1 |
| Recombining binding protein suppressor of hairless CHEMBL4105709 | IC50 | 7.67 | 7.67 | 21.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 1 | IC50 | = | 11.9 | nM | 7.92 | Transactivation Assay: The Notch-CBF1 (C-promoter binding factor I) cell based t... | - |
| Recombining binding protein suppressor of hairless | IC50 | = | 21.2 | nM | 7.67 | Transactivation Assay: The Notch-CBF1 (C-promoter binding factor I) cell based t... | - |
Data from ChEMBL 36 via Core Engine