Compound Detail
CHEMBL4795629
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
Basic Information
| ChEMBL ID | CHEMBL4795629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IASRKUYKCFZQQU-KPKJPENVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
4.13
ALogP
6
HBA
0
HBD
75.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.8 | 8.41 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.588 | nM | 8.8 | Reversal of multidrug resistance activity in P-gp overexpressing human KB-VIN ce... | 32750634 |
| Unchecked | IC50 | = | 9.6 | nM | 8.02 | Reversal of multidrug resistance activity in P-gp overexpressing human A2780T ce... | 32750634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32750634 | 10.1016/j.ejmech.2020.112555 | Unchecked | 7 |
| 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