Compound Detail
CHEMBL4099415
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Basic Information
| ChEMBL ID | CHEMBL4099415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZJQHOLMSQVHAC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
3.18
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 6.48 | 6.48 | 329.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 329.0 | nM | 6.48 | Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamyc... | 28301155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28301155 | 10.1021/acs.jmedchem.6b01879 | K562/A02 | 2 |
| 28301155 | 10.1021/acs.jmedchem.6b01879 | ATP-dependent translocase ABCB1 | 2 |
| 28301155 | 10.1021/acs.jmedchem.6b01879 | K562 | 1 |
Data from ChEMBL 36 via Core Engine