Compound Detail
CHEMBL448874
EUXANTHONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL448874 |
| Name | EUXANTHONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXMFQSCZNDSWSX-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
2.36
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.91 | 4.91 | 12200.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.13 | 4.13 | 73500.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.08 | 4.08 | 83500.0 | 1 |
| COLO 320 CHEMBL614257 | IC50 | 4.04 | 4.04 | 91200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 12200.0 | nM | 4.91 | Antiviral activity against Enterovirus 71 BrCr infected in African green monkey ... | 24679044 |
| K562 | IC50 | = | 73500.0 | nM | 4.13 | Antiproliferative activity against human K562 cells after 48 hrs by CCK8 assay | 28376372 |
| MDA-MB-231 | IC50 | = | 83500.0 | nM | 4.08 | Antiproliferative activity against human MDA-MB-231 cells after 48 hrs by CCK8 a... | 28376372 |
| COLO 320 | IC50 | = | 91200.0 | nM | 4.04 | Antiproliferative activity against human COLO320 cells after 48 hrs by CCK8 assa... | 28376372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9213587 | 10.1021/np970165u | Alternaria alternata | 4 |
| 9213587 | 10.1021/np970165u | Drechslera | 4 |
| 9213587 | 10.1021/np970165u | Fusarium oxysporum f. sp. vasinfectum | 4 |
| 24042007 | 10.1016/j.bmcl.2013.08.085 | BV-2 | 2 |
| 24679044 | 10.1021/np500124e | NON-PROTEIN TARGET | 1 |
| 24679044 | 10.1021/np500124e | Vero | 1 |
| 24679044 | 10.1021/np500124e | Unchecked | 1 |
| 28376372 | 10.1016/j.ejmech.2017.03.068 | MDA-MB-231 | 1 |
| 28376372 | 10.1016/j.ejmech.2017.03.068 | MCF7 | 1 |
| 28376372 | 10.1016/j.ejmech.2017.03.068 | HepG2 | 1 |
| 28376372 | 10.1016/j.ejmech.2017.03.068 | K562 | 1 |
| 28376372 | 10.1016/j.ejmech.2017.03.068 | COLO 320 | 1 |
Data from ChEMBL 36 via Core Engine