Compound Detail
CHEMBL5422284
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
COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)CCNC(=O)CC34CC5CC(CC(C5)C3)C4)cc1)CC2
Basic Information
| ChEMBL ID | CHEMBL5422284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLQOBUYHMADJCZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
678.9
MW (Da)
6.61
ALogP
6
HBA
3
HBD
109.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW-620 CHEMBL612262 | IC50 | 6.47 | 6.47 | 342.0 | 1 |
| SW620/AD300 CHEMBL4630776 | IC50 | 6.42 | 6.42 | 379.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW-620 | IC50 | = | 342.0 | nM | 6.47 | Reversal of doxorubicin-induced multidrug resistance in human SW620 cells measur... | 38389882 |
| SW620/AD300 | IC50 | = | 379.0 | nM | 6.42 | Reversal of doxorubicin-induced multidrug resistance in human SW620/AD300 cells ... | 38389882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38389882 | 10.1039/d3md00612c | SW-620 | 3 |
| 38389882 | 10.1039/d3md00612c | SW620/AD300 | 3 |
| 38389882 | 10.1039/d3md00612c | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine