Compound Detail
CHEMBL1093101
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Basic Information
| ChEMBL ID | CHEMBL1093101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRMWCISIWFTDOJ-XHDPSFHLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
337.8
MW (Da)
2.90
ALogP
3
HBA
1
HBD
66.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Gamma-secretase CHEMBL2094135 | IC50 | 8.68 | 8.11 | 2.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Inhibition of gamma secretase-mediated amyloid beta (1 to 40) production | 19694467 |
| Gamma-secretase | IC50 | = | 2.1 | nM | 8.68 | Inhibition of partially purified human gamma-secretase-mediated cleavage of MBP-... | 23713656 |
| Gamma-secretase | IC50 | = | 29.0 | nM | 7.54 | Inhibition of partially purified human gamma-secretase-mediated cleavage of notc... | 23713656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23713656 | 10.1021/jm301741t | Liver microsomes | 4 |
| 23713656 | 10.1021/jm301741t | Liver | 4 |
| 23713656 | 10.1021/jm301741t | Unchecked | 3 |
| 23713656 | 10.1021/jm301741t | Gamma-secretase | 3 |
| 19694467 | 10.1021/jm900188z | Unchecked | 2 |
| 19694467 | 10.1021/jm900188z | Mus musculus | 2 |
| 19694467 | 10.1021/jm900188z | Homo sapiens | 2 |
Data from ChEMBL 36 via Core Engine