Compound Detail
CHEMBL3703681
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O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
Basic Information
| ChEMBL ID | CHEMBL3703681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQXLDXCRFAAFPF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.1
MW (Da)
5.03
ALogP
5
HBA
2
HBD
84.5
PSA (Ų)
0.45
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase-activating protein CHEMBL3638343 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase-activating protein | IC50 | = | 1.0 | nM | 9.0 | HTRF Biochemical Assay: Among the advantages of this Abeta 42 HTRF gamma-secreta... | - |
Data from ChEMBL 36 via Core Engine