Compound Detail
CHEMBL243167
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Basic Information
| ChEMBL ID | CHEMBL243167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZSASCBZXRCVQS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
3.67
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.35 | 6.35 | 450.0 | 2 |
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 | = | 450.0 | nM | 6.35 | Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated ... | 17317193 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells mediated ir... | 35483322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17317193 | 10.1016/j.bmc.2007.02.017 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 35483322 | 10.1016/j.ejmech.2022.114346 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
Data from ChEMBL 36 via Core Engine