Compound Detail
CHEMBL5079756
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C=CC(=O)N(C)CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5079756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAXNFXSZWKZQBT-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
563.1
MW (Da)
3.27
ALogP
8
HBA
3
HBD
122.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34757216 | 10.1016/j.bmcl.2021.128433 | HeLa | 1 |
| 34757216 | 10.1016/j.bmcl.2021.128433 | HCT-116 | 1 |
| 34757216 | 10.1016/j.bmcl.2021.128433 | MDA-MB-231 | 1 |
| 34757216 | 10.1016/j.bmcl.2021.128433 | Focal adhesion kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine