Compound Detail
CHEMBL2408787
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Basic Information
| ChEMBL ID | CHEMBL2408787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCPNTAGKJZPLCP-JOECNLHFSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
3.69
ALogP
5
HBA
1
HBD
73.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 8.96 | 8.0933 | 1.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 1.1 | nM | 8.96 | Inhibition of BACE1 in human SH-SY5Y cells assessed as release of sAPPbeta after... | 24900714 |
| Beta-secretase 1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human BACE1 cloned in HEK293 cells using Eu-CEVNLDAEFK-QSY 7 as su... | 24900714 |
| Beta-secretase 1 | IC50 | = | 22.0 | nM | 7.66 | TR-FRET Assay: The cDNA for the soluble part of the human 13-Secretase (AA 1-AA ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900714 | 10.1021/ml400177y | Beta-secretase 1 | 2 |
Data from ChEMBL 36 via Core Engine