Compound Detail
CHEMBL4547187
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Cc1ncnc(N2C[C@H]3CC[C@@H](C2)[C@@H]3Nc2nc3n(n2)CCCN3c2cccc(F)c2)c1F
Basic Information
| ChEMBL ID | CHEMBL4547187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLAWDKYXFFJMLG-CWPLJXCYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
3.52
ALogP
8
HBA
1
HBD
75.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | EC50 | 10.89 | 10.89 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | EC50 | = | 0.013 | nM | 10.89 | Inhibition of gamma-secretase (unknown origin) assessed as decrease in amyloid b... | 30655935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30655935 | 10.1021/acsmedchemlett.8b00544 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine