Compound Detail
CHEMBL5410959
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COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C(=O)N4CCN(C(=O)CC56CC7CC(CC(C7)C5)C6)CC4)cc3)cc1)CC2
Basic Information
| ChEMBL ID | CHEMBL5410959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMYQUNWGFFRLQW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
824.0
MW (Da)
7.70
ALogP
7
HBA
2
HBD
120.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW620/AD300 CHEMBL4630776 | IC50 | 6.87 | 6.87 | 134.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 6.86 | 6.86 | 137.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW620/AD300 | IC50 | = | 134.0 | nM | 6.87 | Reversal of doxorubicin-induced multidrug resistance in human SW620/AD300 cells ... | 38389882 |
| SW-620 | IC50 | = | 137.0 | nM | 6.86 | Reversal of doxorubicin-induced multidrug resistance in human SW620 cells measur... | 38389882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38389882 | 10.1039/d3md00612c | SW620/AD300 | 11 |
| 38389882 | 10.1039/d3md00612c | SW-620 | 3 |
| 38389882 | 10.1039/d3md00612c | Unchecked | 3 |
| 38389882 | 10.1039/d3md00612c | ATP-dependent translocase ABCB1 | 2 |
| 38389882 | 10.1039/d3md00612c | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine