Compound Detail
CHEMBL4746188
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Basic Information
| ChEMBL ID | CHEMBL4746188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBCWOXXQQKDCBL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
4.14
ALogP
8
HBA
0
HBD
93.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.57 | 7.0067 | 2.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.692 | nM | 8.57 | Reversal of multidrug resistance activity in P-gp overexpressing human KB-VIN ce... | 32750634 |
| Unchecked | IC50 | = | 8.7 | nM | 8.06 | Reversal of multidrug resistance activity in P-gp overexpressing human A2780T ce... | 32750634 |
| Unchecked | IC50 | = | 41130.0 | nM | 4.39 | Reversal of multidrug resistance activity in human A2780/CDDP cells assessed as ... | 32750634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32750634 | 10.1016/j.ejmech.2020.112555 | Unchecked | 9 |
| 32750634 | 10.1016/j.ejmech.2020.112555 | HUVEC | 1 |
| 32750634 | 10.1016/j.ejmech.2020.112555 | A2780/Taxol | 1 |
Data from ChEMBL 36 via Core Engine