Compound Detail
CHEMBL3330748
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CC(C)(C)n1c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2c2sc(-c3ccc(/C=C(\C#N)C(N)=O)s3)cc21
Basic Information
| ChEMBL ID | CHEMBL3330748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQSBEJKTSMJWRT-LKUDQCMESA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
654.9
MW (Da)
10.93
ALogP
7
HBA
1
HBD
75.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25086914 | 10.1016/j.ejmech.2014.07.095 | Amyloid-beta precursor protein | 2 |
| 25086914 | 10.1016/j.ejmech.2014.07.095 | Microtubule-associated protein tau | 2 |
| 30055886 | 10.1016/j.bmcl.2018.07.025 | ADMET | 1 |
| 30055886 | 10.1016/j.bmcl.2018.07.025 | HeLa | 1 |
| 30055886 | 10.1016/j.bmcl.2018.07.025 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine