Compound Detail
CHEMBL3763538
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COc1cccc(OC)c1/C=C1\CC[C@@H]2[C@H]3CCCN4CCC[C@H](CN2C1=O)[C@@H]34
Basic Information
| ChEMBL ID | CHEMBL3763538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEJIQTQFGVPCBN-SINFLXTNSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
3.58
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26865176 | 10.1016/j.bmcl.2015.09.010 | NON-PROTEIN TARGET | 1 |
| 26865176 | 10.1016/j.bmcl.2015.09.010 | KB | 1 |
| 26865176 | 10.1016/j.bmcl.2015.09.010 | MDA-MB-231 | 1 |
| 26865176 | 10.1016/j.bmcl.2015.09.010 | MCF7 | 1 |
| 26865176 | 10.1016/j.bmcl.2015.09.010 | A549 | 1 |
Data from ChEMBL 36 via Core Engine