Compound Detail
CHEMBL4435710
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CCCCCCCC(=O)SCC/C=C/[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C1(F)F
Basic Information
| ChEMBL ID | CHEMBL4435710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKYXWCWTSFFVIX-GIMWIGEDSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
657.9
MW (Da)
4.85
ALogP
9
HBA
3
HBD
129.6
PSA (Ų)
0.23
QED
1
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