Compound Detail
CHEMBL4799723
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CCNS(=O)(=O)c1ccc(-n2nc(/C=C/c3ccc(OC)c(OC)c3)cc2/C=C/c2ccc(OC)c(OC)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4799723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXYQJQPEEHZTPM-MKICQXMISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
575.7
MW (Da)
5.55
ALogP
8
HBA
1
HBD
100.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Inhibition of P-gp mediated multidrug resistance in human K562/4 cells assessed ... | 32403017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32403017 | 10.1016/j.ejmech.2020.112331 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine