Compound Detail
CHEMBL1240943
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C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/COc1cc(O)c2c(=O)c(OC/C=C(\C)CC[C@H]3C(=C)CC[C@H]4C(C)(C)CCC[C@]34C)c(-c3ccc(OC)cc3)oc2c1
Basic Information
| ChEMBL ID | CHEMBL1240943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBHRTPDLTKRHJP-HFOGYWBUSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
845.2
MW (Da)
14.98
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20619940 | 10.1016/j.ejmech.2010.06.025 | HeLa | 1 |
| 20619940 | 10.1016/j.ejmech.2010.06.025 | A549 | 1 |
| 20619940 | 10.1016/j.ejmech.2010.06.025 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine