Compound Detail
CHEMBL1080792
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C=C(C)[C@@H]1CC[C@]2(C(O)=S)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1080792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXBLCDWPKGNWDQ-SVAFSPIFSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
470.8
MW (Da)
8.10
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19691293 | 10.1021/np900312u | SW948 | 1 |
| 19691293 | 10.1021/np900312u | HCT-116 | 1 |
| 19691293 | 10.1021/np900312u | MDA-MB-231 | 1 |
| 19691293 | 10.1021/np900312u | DNA topoisomerase 1 | 1 |
| 19691293 | 10.1021/np900312u | DNA topoisomerase 2-alpha | 1 |
Data from ChEMBL 36 via Core Engine