Compound Detail
CHEMBL4573939
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Cc1cccc(-n2cc(CNC(=O)[C@]34CC[C@@H](C)[C@H](C)[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)nn2)c1
Basic Information
| ChEMBL ID | CHEMBL4573939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZSIEQUSQJCSDL-FNUMBKHLSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
658.9
MW (Da)
6.15
ALogP
7
HBA
4
HBD
120.5
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31057738 | 10.1039/C8MD00620B | A549 | 2 |
| 31057738 | 10.1039/C8MD00620B | Unchecked | 2 |
| 31057738 | 10.1039/C8MD00620B | HepG2 | 1 |
| 31057738 | 10.1039/C8MD00620B | T-24 | 1 |
| 31057738 | 10.1039/C8MD00620B | L02 | 1 |
| 31057738 | 10.1039/C8MD00620B | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine