Compound Detail
CHEMBL3958560
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COc1ccc2c(c1)NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCCF)C(N)=O)N=C2c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3958560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIRIDNHDVCSNSH-YZZKKUAISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
536.5
MW (Da)
3.74
ALogP
5
HBA
3
HBD
122.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 1 CHEMBL2146346 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Recombining binding protein suppressor of hairless CHEMBL4105709 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 1 | IC50 | = | 5.8 | nM | 8.24 | Transactivation Assay: The Notch-CBF1 (C-promoter binding factor I) cell based t... | - |
| Recombining binding protein suppressor of hairless | IC50 | = | 11.0 | nM | 7.96 | Transactivation Assay: The Notch-CBF1 (C-promoter binding factor I) cell based t... | - |
Data from ChEMBL 36 via Core Engine