Compound Detail
CHEMBL435593
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Basic Information
| ChEMBL ID | CHEMBL435593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAIFIQRMXMAJQZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
4.23
ALogP
4
HBA
1
HBD
46.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 4.96 | 4.96 | 10964.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 11030.0 | nM | 4.96 | Compound was tested for inhibition of daunomycin efflux in the resistant human T... | 9767638 |
| ATP-dependent translocase ABCB1 | EC50 | = | 10964.78 | nM | 4.96 | SUPPLEMENTARY: Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767638 | 10.1021/jm980121y | ATP-dependent translocase ABCB1 | 1 |
| - | 10.6019/CHEMBL2449286 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine