Compound Detail
CHEMBL375243
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Basic Information
| ChEMBL ID | CHEMBL375243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXOBZGMBGHYACS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
4.68
ALogP
5
HBA
1
HBD
53.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.22
IC50 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | IC50 | = | 5.623 | nM | 8.25 | Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VC... | 22452412 |
| ATP-dependent translocase ABCB1 | EC50 | = | 6.0 | nM | 8.22 | Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin... | 17352460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17352460 | 10.1021/jm060604z | ATP-dependent translocase ABCB1 | 1 |
| 22452412 | 10.1021/jm201705f | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine