Compound Detail
CHEMBL1093403
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Basic Information
| ChEMBL ID | CHEMBL1093403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABPUPKAKVGTPJW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.9
MW (Da)
3.83
ALogP
3
HBA
1
HBD
66.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 8.01 | 6.3233 | 9.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 9.7 | nM | 8.01 | Inhibition of gamma-secretase-mediated APP cleavage in human IMR-32 cells assess... | 20207136 |
| Gamma-secretase | IC50 | = | 776.0 | nM | 6.11 | Inhibition of gamma-secretase-mediated notch cleavage in human IMR-32 cells afte... | 20207136 |
| Gamma-secretase | IC50 | = | 14126.0 | nM | 4.85 | Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELIS... | 20207136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20207136 | 10.1016/j.bmcl.2010.02.039 | Gamma-secretase | 4 |
| 20207136 | 10.1016/j.bmcl.2010.02.039 | Liver microsomes | 2 |
Data from ChEMBL 36 via Core Engine