Compound Detail
CHEMBL223130
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Basic Information
| ChEMBL ID | CHEMBL223130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDWCABHCFJEQGX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
6.71
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 6.86 | 6.86 | 137.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 137.0 | nM | 6.86 | Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin... | 17352460 |
| ATP-dependent translocase ABCB1 | EC50 | = | 138.04 | nM | 6.86 | SUPPLEMENTARY: Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17352460 | 10.1021/jm060604z | ATP-dependent translocase ABCB1 | 1 |
| - | 10.6019/CHEMBL2449286 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine