Compound Detail
CHEMBL3116256
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CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@]2(O)Cn1cc(-c2ccccc2)nn1
Basic Information
| ChEMBL ID | CHEMBL3116256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHEQYEODYBUFEV-HXCPCIJPSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
2.43
ALogP
9
HBA
1
HBD
114.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24378709 | 10.1016/j.ejmech.2013.11.044 | PC-3 | 1 |
| 24378709 | 10.1016/j.ejmech.2013.11.044 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine