Compound Detail
CHEMBL4115546
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
COc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)C1CCC(F)(F)CC1)N=C2c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4115546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPSAOZZYKLGLJH-DHTSOJEISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
594.6
MW (Da)
4.81
ALogP
5
HBA
3
HBD
122.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Recombining binding protein suppressor of hairless CHEMBL4105709 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Neurogenic locus notch homolog protein 1 CHEMBL2146346 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Recombining binding protein suppressor of hairless | IC50 | = | 6.0 | nM | 8.22 | Transactivation Assay: The Notch-CBF1 (C-promoter binding factor I) cell based t... | - |
| Neurogenic locus notch homolog protein 1 | IC50 | = | 7.0 | nM | 8.15 | Transactivation Assay: The Notch-CBF1 (C-promoter binding factor I) cell based t... | - |
Data from ChEMBL 36 via Core Engine