Compound Detail
CHEMBL2420084
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 | CHEMBL2420084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJMOCVLIXYIPTG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
4.76
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.34 | 6.31 | 457.0 | 2 |
| Multidrug resistance-associated protein 1 CHEMBL3004 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 457.0 | nM | 6.34 | Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of ph... | 23851114 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 522.0 | nM | 6.28 | Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of Ho... | 23851114 |
| Multidrug resistance-associated protein 1 | IC50 | = | 15100.0 | nM | 4.82 | Inhibition of MRP1 (unknown origin) expressed in human 2008 cells assessed as ca... | 23851114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23851114 | 10.1016/j.ejmech.2013.06.035 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 23851114 | 10.1016/j.ejmech.2013.06.035 | ATP-dependent translocase ABCB1 | 1 |
| 23851114 | 10.1016/j.ejmech.2013.06.035 | Multidrug resistance-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine