Compound Detail
CHEMBL5408606
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COc1cc2c(cc1OC)CN(Cc1ccc(N3Cc4cc(OC)c5c(c4-c4c(cc(OC)c6c4OCO6)C3)OCO5)cc1)CC2
Basic Information
| ChEMBL ID | CHEMBL5408606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARLDJYOIFBJYIW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
624.7
MW (Da)
5.92
ALogP
10
HBA
0
HBD
80.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562/A02 CHEMBL4296448 | IC50 | 8.22 | 6.7933 | 6.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562/A02 | IC50 | = | 6.0 | nM | 8.22 | Reversal of multi-drug resistance in human K562/A02 cells assessed as ADR IC50 | 36708676 |
| K562/A02 | IC50 | = | 51.0 | nM | 7.29 | Reversal of multi-drug resistance in human K562/A02 cells assessed as ADR IC50 a... | 36708676 |
| K562/A02 | IC50 | = | 13590.0 | nM | 4.87 | Cytotoxicity against human K562/A02 cells assessed as inhibition of cell growth ... | 36708676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36708676 | 10.1016/j.ejmech.2023.115150 | K562/A02 | 5 |
Data from ChEMBL 36 via Core Engine