Compound Detail
CHEMBL3688211
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[C-]#[N+]c1ccc(C(=O)Nc2ccc(F)c(C3(C(F)F)CCS(=O)(=O)CC(N)=N3)c2)nc1
Basic Information
| ChEMBL ID | CHEMBL3688211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIEGCRCCBXUZRY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
2.66
ALogP
6
HBA
2
HBD
118.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4593 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 260.0 | nM | 6.58 | ELISA Assay: An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies,... | - |
Data from ChEMBL 36 via Core Engine