Compound Detail
CHEMBL3261078
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Basic Information
| ChEMBL ID | CHEMBL3261078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMHDJRUKZXENER-IBGZPJMESA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
438.9
MW (Da)
2.91
ALogP
6
HBA
2
HBD
114.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.07
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 9.07 | 9.035 | 0.8 | 2 |
| Beta-secretase 1 CHEMBL4822 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 0.85 | nM | 9.07 | In Vivo Inhibition of Beta-Secretase: Several animal models, including mouse, ra... | - |
| Beta-secretase 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of recombinant soluble human BACE1 catalytic domain using QSY7-EISEVN... | 24704031 |
| Beta-secretase 1 | Ki | = | 1.0 | nM | 9.0 | BACE1 HTRF FRET Assay: A homogeneous time-resolved FRET assay can be used to det... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24704031 | 10.1016/j.bmcl.2014.03.025 | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine