Compound Detail
CHEMBL4753079
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CC1(N(C[C@H](O)[C@@H](N)c2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCC1
Basic Information
| ChEMBL ID | CHEMBL4753079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWAMMIIKDRBEAN-OALUTQOASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.4
MW (Da)
3.99
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal peptide peptidase-like 2A CHEMBL4105833 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Gamma-secretase CHEMBL2094135 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal peptide peptidase-like 2A | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luc... | 31223443 |
| Gamma-secretase | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells cotrans... | 31223443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31223443 | 10.1021/acsmedchemlett.9b00044 | Signal peptide peptidase-like 2A | 1 |
| 31223443 | 10.1021/acsmedchemlett.9b00044 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine