Compound Detail
CHEMBL220826
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Basic Information
| ChEMBL ID | CHEMBL220826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWQIMHIJDLAOHB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
6.00
ALogP
4
HBA
3
HBD
76.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of BACE1 | 17315857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17315857 | 10.1021/jm061197u | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine