Compound Detail
CHEMBL5761495
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C=CC(=O)Nc1cccc(CN(C(=O)Nc2cccc(C(F)(F)F)c2)C2CCN(C(C)CCC)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL5761495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYYYSYJQVIOSIT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
6.52
ALogP
3
HBA
2
HBD
64.7
PSA (Ų)
0.37
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12 CHEMBL4523603 | IC50 | 6.96 | 6.96 | 111.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12 | IC50 | = | 111.0 | nM | 6.96 | TR-Fret Assay: The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-F... | - |
Data from ChEMBL 36 via Core Engine