Compound Detail
CHEMBL443344
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Basic Information
| ChEMBL ID | CHEMBL443344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSXOKXJMVRSARX-BYPYZUCNSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.7
MW (Da)
2.78
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 8.1 | 7.96 | 8.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.97 | 4.97 | 10670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of gamma-secretase (unknown origin) assessed as reduction in amyloid ... | 29477076 |
| Gamma-secretase | IC50 | = | 15.0 | nM | 7.82 | Inhibition of gamma-secretase (unknown origin) assessed as reduction in amyloid ... | 29477076 |
| Unchecked | IC50 | = | 10670.0 | nM | 4.97 | Inhibition of gamma-secretase expressed in CHO cells expressing human recombinan... | 19012391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19012391 | 10.1021/jm801252w | Unchecked | 3 |
| 29477076 | 10.1016/j.ejmech.2018.02.035 | Gamma-secretase | 3 |
| 19694467 | 10.1021/jm900188z | Gamma-secretase | 2 |
| 19694467 | 10.1021/jm900188z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine