Compound Detail
CHEMBL4591622
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Cc1cn(-c2ccc3[nH]c(-c4nc(-c5cccc(C(F)(F)F)c5)n(C)n4)cc3c2)cn1
Basic Information
| ChEMBL ID | CHEMBL4591622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COYPGUASEAOKPF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
5.14
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 85.0 | nM | 7.07 | Inhibition of gamma secretase in mouse Neuro2 cells expressing endogenous levels... | 31122869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31122869 | 10.1016/j.bmcl.2019.05.023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine