Compound Detail
CHEMBL3896414
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@H](C[C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3896414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPJBPAOAPXODSK-HMVOWMFESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
591.0
MW (Da)
5.22
ALogP
4
HBA
3
HBD
113.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Recombining binding protein suppressor of hairless CHEMBL4105709 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Neurogenic locus notch homolog protein 1 CHEMBL2146346 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Recombining binding protein suppressor of hairless | IC50 | = | 3.2 | nM | 8.49 | Transactivation Assay: The Notch-CBF1 (C-promoter binding factor I) cell based t... | - |
| Neurogenic locus notch homolog protein 1 | IC50 | = | 5.1 | nM | 8.29 | Transactivation Assay: The Notch-CBF1 (C-promoter binding factor I) cell based t... | - |
Data from ChEMBL 36 via Core Engine