Compound Detail
CHEMBL4872089
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C=CC(=O)NCCCCNC(=O)CCN1CCN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)nc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4872089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKAKBFAHSQSEPO-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
643.8
MW (Da)
3.27
ALogP
11
HBA
3
HBD
154.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33857728 | 10.1016/j.ejmech.2021.113432 | NCI-H1299 | 1 |
| 33857728 | 10.1016/j.ejmech.2021.113432 | MDA-MB-231 | 1 |
| 33857728 | 10.1016/j.ejmech.2021.113432 | MDA-MB-453 | 1 |
| 33857728 | 10.1016/j.ejmech.2021.113432 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine