Compound Detail
CHEMBL1760481
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C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(C(N)=O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL1760481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRMLYDCBIGXBMD-OIZWTYQOSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
499.7
MW (Da)
5.80
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21334793 | 10.1016/j.ejmech.2011.01.061 | HL-60 | 1 |
| 21334793 | 10.1016/j.ejmech.2011.01.061 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine