Compound Detail
CHEMBL3672921
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Basic Information
| ChEMBL ID | CHEMBL3672921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRIHQAVUMDUZBP-INIZCTEOSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
2.30
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | Ki | 7.59 | 6.59 | 25.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | Ki | = | 25.6 | nM | 7.59 | Homogeneous Time-Resolved FRET Assay: The protocol that was used to determine th... | - |
| Beta-secretase 1 | Ki | = | 25.6 | nM | 7.59 | HTRF FRET Assay: A homogeneous time-resolved FRET assay was used to determine IC... | - |
| Beta-secretase 1 | Ki | = | 25600.0 | nM | 4.59 | BACE1 HTRF FRET Assay: This assay monitored the increase of 620 nm fluorescence ... | - |
Data from ChEMBL 36 via Core Engine