Compound Detail
CHEMBL5283433
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 | CHEMBL5283433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXEQBLZMVHHAJH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
4.40
ALogP
5
HBA
1
HBD
66.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Multidrug resistance-associated protein 1 CHEMBL3004 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 4.69 | 4.69 | 20414.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Multidrug resistance-associated protein 1 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of MRP1 (unknown origin) | 29016119 |
| ATP-dependent translocase ABCB1 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of P-gp (unknown origin) | 29016119 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 20414.0 | nM | 4.69 | Inhibition of BCRP (unknown origin) | 29016119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29016119 | 10.1021/acs.jmedchem.7b00788 | Multidrug resistance-associated protein 1 | 1 |
| 29016119 | 10.1021/acs.jmedchem.7b00788 | ATP-dependent translocase ABCB1 | 1 |
| 29016119 | 10.1021/acs.jmedchem.7b00788 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
Data from ChEMBL 36 via Core Engine