Compound Detail
CHEMBL3352978
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3352978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODESZRGYPOLTSA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
4.51
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Multidrug resistance-associated protein 1 CHEMBL3004 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 800.0 | nM | 6.1 | Inhibition of MDR1 (unknown origin) over-expressed in MDCK cells assessed as cal... | 25379609 |
| Multidrug resistance-associated protein 1 | EC50 | = | 10000.0 | nM | 5.0 | Inhibition of MRP1 (unknown origin) over-expressed in MDCK cells assessed as cal... | 25379609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25379609 | 10.1021/jm501640e | ATP-dependent translocase ABCB1 | 1 |
| 25379609 | 10.1021/jm501640e | Multidrug resistance-associated protein 1 | 1 |
| 25379609 | 10.1021/jm501640e | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
| 25379609 | 10.1021/jm501640e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine