Compound Detail
CHEMBL3680865
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Basic Information
| ChEMBL ID | CHEMBL3680865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVMUTCSDIWXUCG-MAUKXSAKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
2.38
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Beta-secretase 2 CHEMBL2525 | IC50 | 7.19 | 7.19 | 65.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition Assay: The assay uses the principle of inhibition of human TMEM27 cle... | - |
| Beta-secretase 2 | IC50 | = | 65.0 | nM | 7.19 | Inhibition Assay: The assay uses the principle of inhibition of human TMEM27 cle... | - |
| Beta-secretase 2 | IC50 | = | 65.0 | nM | 7.19 | Inhibition Assay: The assay uses the principle of inhibition of human TMEM27 cle... | - |
Data from ChEMBL 36 via Core Engine