Compound Detail
CHEMBL4086098
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C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N[C@@H]1C(=O)N2CCCN2Cc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL4086098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAEPLOWCYYABFY-VFNWGFHPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
3.49
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal peptide peptidase-like 2A CHEMBL4105833 | IC50 | 5.54 | 5.54 | 2850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal peptide peptidase-like 2A | IC50 | = | 2850.0 | nM | 5.54 | Inhibition of human SPPL2a expressed in HEK293 cells using GAL4-VP16 fusedTNFalp... | 29359565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29359565 | 10.1021/acs.jmedchem.7b01371 | Unchecked | 2 |
| 29359565 | 10.1021/acs.jmedchem.7b01371 | Signal peptide peptidase-like 2A | 1 |
Data from ChEMBL 36 via Core Engine