Compound Detail
CHEMBL4582946
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Basic Information
| ChEMBL ID | CHEMBL4582946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DILGPRAZNUBLGP-KRWDZBQOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
3.28
ALogP
5
HBA
2
HBD
80.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 7.89 | 7.845 | 13.0 | 2 |
| Beta-secretase 2 CHEMBL2525 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of BACE1 (1 to 454 residues) (unknown origin) using Mca-APP Swedish L... | 31021626 |
| Beta-secretase 2 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of BACE2 (unknown origin) using Mca-APP Swedish Lys-Met/Asn-Leu mutan... | 31021626 |
| Beta-secretase 1 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of BACE1 in human SKNBE2 cells expressing APP695 assessed as reductio... | 31021626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31021626 | 10.1021/acs.jmedchem.9b00309 | Beta-secretase 1 | 2 |
| 31021626 | 10.1021/acs.jmedchem.9b00309 | Beta-secretase 2 | 1 |
| 31021626 | 10.1021/acs.jmedchem.9b00309 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine