Compound Detail
CHEMBL128085
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Basic Information
| ChEMBL ID | CHEMBL128085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDTBXQFNLCGHOS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
2.54
ALogP
6
HBA
2
HBD
76.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 4.55 | 4.55 | 28210.0 | 1 |
| L5178Y CHEMBL614720 | EC50 | 4.19 | 4.19 | 64550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 28210.0 | nM | 4.55 | Compound was tested for inhibition of daunomycin efflux in the resistant human T... | 9767638 |
| L5178Y | EC50 | = | 64550.0 | nM | 4.19 | Compound was tested for inhibition of rhodamine 123 efflux in mdr 1 transfectant... | 9767638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767638 | 10.1021/jm980121y | ATP-dependent translocase ABCB1 | 1 |
| 9767638 | 10.1021/jm980121y | L5178Y | 1 |
Data from ChEMBL 36 via Core Engine