Compound Detail
CHEMBL4743006
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Basic Information
| ChEMBL ID | CHEMBL4743006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJMHENZRTONYMW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.79
ALogP
6
HBA
0
HBD
69.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.55 | 6.97 | 2.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.842 | nM | 8.55 | Reversal of multidrug resistance activity in P-gp overexpressing human KB-VIN ce... | 32750634 |
| Unchecked | IC50 | = | 8.2 | nM | 8.09 | Reversal of multidrug resistance activity in P-gp overexpressing human A2780T ce... | 32750634 |
| Unchecked | IC50 | = | 53240.0 | nM | 4.27 | 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