Compound Detail
CHEMBL2347369
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Basic Information
| ChEMBL ID | CHEMBL2347369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDHFYDBXUFADDU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2365642 |
| Active Moiety | CHEMBL2365642 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
2.36
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 4.38 | 4.38 | 41200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 41200.0 | nM | 4.38 | Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins pri... | 23590342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23590342 | 10.1021/jm400225m | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine