Compound Detail
CHEMBL427593
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CSSc1cccc(C(=O)O[C@H]2[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@]2(O)C3(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL427593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZUDYJCEIKLHMZ-CEMBKFKISA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
906.1
MW (Da)
4.79
ALogP
17
HBA
4
HBD
230.5
PSA (Ų)
0.10
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12477344 | 10.1021/jm025540g | A-431 | 1 |
| 12477344 | 10.1021/jm025540g | A549 | 1 |
| 15225730 | 10.1016/j.bmcl.2004.05.027 | A-431 | 1 |
| 15225730 | 10.1016/j.bmcl.2004.05.027 | A549 | 1 |
Data from ChEMBL 36 via Core Engine