Compound Detail
CHEMBL4513302
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CCCCCCCC(=O)SCC(F)(F)/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL4513302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPTAYOSOAAHHJC-JLXIVNBWSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
658.9
MW (Da)
5.28
ALogP
10
HBA
2
HBD
126.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31505452 | 10.1016/j.ejmech.2019.111672 | A549 | 1 |
| 31505452 | 10.1016/j.ejmech.2019.111672 | HCT-116 | 1 |
| 31505452 | 10.1016/j.ejmech.2019.111672 | MDA-MB-231 | 1 |
| 31505452 | 10.1016/j.ejmech.2019.111672 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine