Compound Detail
CHEMBL1999832
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Basic Information
| ChEMBL ID | CHEMBL1999832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAGCBYGVDCNHLI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.2
MW (Da)
6.66
ALogP
6
HBA
2
HBD
68.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.17 | 6.12 | 670.0 | 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 | = | 670.0 | nM | 6.17 | Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accu... | 24184213 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 860.0 | nM | 6.07 | Inhibition of human BCRP expressed in MDCK2 cells assessed as pheophorbide A acc... | 24184213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24184213 | 10.1016/j.bmc.2013.10.007 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
Data from ChEMBL 36 via Core Engine