Compound Detail
CHEMBL2152863
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Basic Information
| ChEMBL ID | CHEMBL2152863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTMIQYZNBXAOLE-RLTIXQJVSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
664.9
MW (Da)
3.33
ALogP
10
HBA
5
HBD
155.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.22 | 6.88 | 60.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 60.0 | nM | 7.22 | Inhibition of gamma-secretase-mediated amyloid beta-42 production in diluted 2B7... | 24900406 |
| Unchecked | IC50 | = | 60.0 | nM | 7.22 | Modulation of gamma-secretase assessed as reduction in amyloid beta 42 level by ... | 23030762 |
| Unchecked | IC50 | = | 84.0 | nM | 7.08 | Inhibition of gamma-secretase-mediated amyloid beta-38 production in diluted 2B7... | 24900406 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of gamma-secretase-mediated amyloid beta-40 production in diluted 2B7... | 24900406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900406 | 10.1021/ml300256p | Unchecked | 3 |
| 23030762 | 10.1021/jm300976b | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine