Compound Detail
CHEMBL4753645
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CNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1/C(=N/O)CC2c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL4753645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPNFBSNZTPJANP-KCSSXMTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
4.01
ALogP
10
HBA
3
HBD
122.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 10.0 | nM | 8.0 | Modulation of gamma secretase (unknown origin) assessed as inhibition of amyloid... | 32890687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32890687 | 10.1016/j.bmcl.2020.127530 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine