Compound Detail
CHEMBL437571
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 | CHEMBL437571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTGXXLFEOHIIBM-BQYQJAHWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
2.88
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 4.79 | 4.79 | 16200.0 | 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 | = | 16200.0 | nM | 4.79 | Inhibition of ABCG2 (unknown origin) expressed in MDCK II BCRP cells assessed as... | 30594677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27210436 | 10.1016/j.bmcl.2016.05.013 | Candida albicans | 3 |
| - | 10.1007/s00044-010-9305-6 | Culex quinquefasciatus | 2 |
| 30594677 | 10.1016/j.ejmech.2018.12.019 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 17383189 | 10.1016/j.bmc.2007.03.031 | TK-10 | 1 |
| 17383189 | 10.1016/j.bmc.2007.03.031 | MCF7 | 1 |
| 17383189 | 10.1016/j.bmc.2007.03.031 | HT-29 | 1 |
| 25278230 | 10.1016/j.bmcl.2014.09.028 | No relevant target | 1 |
| 30594677 | 10.1016/j.ejmech.2018.12.019 | ATP-dependent translocase ABCB1 | 1 |
| 30594677 | 10.1016/j.ejmech.2018.12.019 | Multidrug resistance-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine