Compound Detail
CHEMBL575828
GOSSYPOLONE Enter ChEMBL ID:
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CC1=C(C2=C(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C2=O)C(=O)c2c(C=O)c(O)c(O)c(C(C)C)c2C1=O
Basic Information
| ChEMBL ID | CHEMBL575828 |
| Name | GOSSYPOLONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSPBCFMMSKAENM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
546.5
MW (Da)
4.47
ALogP
10
HBA
4
HBD
183.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.63 | 4.63 | 23300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.58 | 4.565 | 26100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 23300.0 | nM | 4.63 | Anticancer activity against human HeLa cells after 48 hrs by MTT assay | 19447525 |
| NON-PROTEIN TARGET | IC50 | = | 26100.0 | nM | 4.58 | Anticancer activity against human U87 cells after 48 hrs by MTT assay | 19447525 |
| NON-PROTEIN TARGET | IC50 | = | 28300.0 | nM | 4.55 | Anticancer activity against human M85 cells after 48 hrs by MTT assay | 19447525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19447525 | 10.1016/j.ejmech.2009.04.025 | Unchecked | 4 |
| 19447525 | 10.1016/j.ejmech.2009.04.025 | HeLa | 3 |
| 19447525 | 10.1016/j.ejmech.2009.04.025 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine