Compound Detail
CHEMBL2396972
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O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2c3c[nH]nc3C[C@@H]1c1cc(F)cnc12
Basic Information
| ChEMBL ID | CHEMBL2396972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBBDPKUPNWYZPS-CJNGLKHVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
2.75
ALogP
5
HBA
1
HBD
91.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 9.4 | nM | 8.03 | Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrat... | 23312944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23312944 | 10.1016/j.bmcl.2012.12.039 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine