Compound Detail
CHEMBL2396957
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O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1[C@H]2c3c[nH]nc3C[C@@H]1c1cccc(F)c12
Basic Information
| ChEMBL ID | CHEMBL2396957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWCSNBIPOVBQHH-AEFFLSMTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.4
MW (Da)
3.84
ALogP
4
HBA
1
HBD
75.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.01 | 6.01 | 971.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 971.0 | nM | 6.01 | Inhibition of gamma-secretase in CHO cells after overnight incubation by lucifer... | 23312944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23312944 | 10.1016/j.bmcl.2012.12.039 | Unchecked | 2 |
| 23312944 | 10.1016/j.bmcl.2012.12.039 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine