Compound Detail
CHEMBL1624741
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 | CHEMBL1624741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URQSXBUBPRZCPZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
4.74
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.2 | 5.2 | 6380.0 | 1 |
| Multidrug resistance-associated protein 1 CHEMBL3004 | IC50 | 5.06 | 5.06 | 8770.0 | 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 | = | 6380.0 | nM | 5.2 | Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincu... | 27148793 |
| Multidrug resistance-associated protein 1 | IC50 | = | 8770.0 | nM | 5.06 | Inhibition of ABCC1 in human H69AR cells preincubated for 30 mins before calcein... | 27148793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27148793 | 10.1021/acs.jmedchem.6b00330 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 27148793 | 10.1021/acs.jmedchem.6b00330 | Multidrug resistance-associated protein 1 | 2 |
| 27148793 | 10.1021/acs.jmedchem.6b00330 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine