Compound Detail
CHEMBL1837042
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Basic Information
| ChEMBL ID | CHEMBL1837042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOWZRGMUXMOUAI-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
4.66
ALogP
3
HBA
1
HBD
66.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 7.85 | 6.8867 | 14.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 4.96 | 4.96 | 10932.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 14.0 | nM | 7.85 | Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in ... | 21885276 |
| Gamma-secretase | IC50 | = | 14.0 | nM | 7.85 | Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrat... | 23312944 |
| Gamma-secretase | IC50 | = | 10932.0 | nM | 4.96 | Inhibition of gamma-secretase-mediated notch cleavage in human SNC-204B8 cells a... | 21885276 |
| Unchecked | IC50 | = | 10932.0 | nM | 4.96 | Inhibition of gamma-secretase in CHO cells after overnight incubation by lucifer... | 23312944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21885276 | 10.1016/j.bmcl.2011.08.008 | Gamma-secretase | 4 |
| 23312944 | 10.1016/j.bmcl.2012.12.039 | Unchecked | 2 |
| 23312944 | 10.1016/j.bmcl.2012.12.039 | Gamma-secretase | 2 |
| 21885276 | 10.1016/j.bmcl.2011.08.008 | Liver microsomes | 1 |
| 21885276 | 10.1016/j.bmcl.2011.08.008 | Liver | 1 |
Data from ChEMBL 36 via Core Engine