Compound Detail
CHEMBL394699
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CCCCCCCCCCCCOC(=O)[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2OC(=O)c2ccc(OC)cc2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL394699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZQGOATZPVHKQR-SVUMFQDDSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
813.1
MW (Da)
7.45
ALogP
11
HBA
4
HBD
161.2
PSA (Ų)
0.07
QED
3
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17127060 | 10.1016/j.bmcl.2006.11.032 | Jurkat | 1 |
| 17127060 | 10.1016/j.bmcl.2006.11.032 | RKO | 1 |
| 17127060 | 10.1016/j.bmcl.2006.11.032 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine