Compound Detail
CHEMBL184919
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CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3cccc(N(C)C)c3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL184919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDYFUBQFGLDMFG-WQWSETHTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
871.0
MW (Da)
3.49
ALogP
16
HBA
4
HBD
233.8
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 1.0 | nM | 9.0 | Compound was tested for its cytotoxicity by inhibiting the growth of A-549 cell ... | 15225730 |
| MCF7 | IC50 | = | 1.0 | nM | 9.0 | Compound was tested for its cytotoxicity by inhibiting the growth of MCF-7 cell ... | 15225730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225730 | 10.1016/j.bmcl.2004.05.027 | A549 | 1 |
| 15225730 | 10.1016/j.bmcl.2004.05.027 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine