Compound Detail
CHEMBL1077744
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CO[C@@H]1OCC2[C@H]1[C@@]1(C)[C@H](O)C[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)[C@@H]1C[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL1077744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PROADJNCLZGCAJ-NDHJQNDDSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
4.62
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19658408 | 10.1021/np900326a | SK-OV-3 | 1 |
| 19658408 | 10.1021/np900326a | SK-MEL | 1 |
| 19658408 | 10.1021/np900326a | BT-549 | 1 |
| 19658408 | 10.1021/np900326a | Vero | 1 |
| 19658408 | 10.1021/np900326a | Staphylococcus aureus | 1 |
| 19658408 | 10.1021/np900326a | Mycobacterium intracellulare | 1 |
Data from ChEMBL 36 via Core Engine