Compound Detail
CHEMBL1215646
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Basic Information
| ChEMBL ID | CHEMBL1215646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLWYYRNWYFXCHB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
3.66
ALogP
6
HBA
0
HBD
96.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 5.48 | 5.48 | 3310.0 | 1 |
| Multidrug resistance-associated protein 1 CHEMBL3004 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 3310.0 | nM | 5.48 | Inhibition of MDR1 expressed in MDCK cells assessed as calcein AM accumulation b... | 20684594 |
| Multidrug resistance-associated protein 1 | EC50 | = | 8000.0 | nM | 5.1 | Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation b... | 20684594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684594 | 10.1021/jm100066y | ATP-dependent translocase ABCB1 | 1 |
| 20684594 | 10.1021/jm100066y | Multidrug resistance-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine