Compound Detail
CHEMBL2426504
DEACETYLOVATIFOLIN Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2426504 |
| Name | DEACETYLOVATIFOLIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAYQFYAFBVYKJZ-ROFUYRKGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
1.49
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| MCF-10A CHEMBL614321 | IC50 | 4.34 | 4.34 | 45700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 6900.0 | nM | 5.16 | Cytotoxicity against human MCF7 cells assessed as growth inhibition after 72 hrs... | 24044895 |
| MDA-MB-231 | IC50 | = | 13800.0 | nM | 4.86 | Cytotoxicity against human MDA-MB-231 cells assessed as growth inhibition after ... | 24044895 |
| MCF-10A | IC50 | = | 45700.0 | nM | 4.34 | Cytotoxicity against human MCF10A cells assessed as growth inhibition after 72 h... | 24044895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24044895 | 10.1016/j.ejmech.2013.07.018 | MCF-10A | 1 |
| 24044895 | 10.1016/j.ejmech.2013.07.018 | MDA-MB-231 | 1 |
| 24044895 | 10.1016/j.ejmech.2013.07.018 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine