Compound Detail
CHEMBL1195084
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Basic Information
| ChEMBL ID | CHEMBL1195084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYOVPXMSRXGEEZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
5.69
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.96
IC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.71 | 5.71 | 1930.0 | 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 | EC50 | = | 11.0 | nM | 7.96 | Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus i... | 29547272 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 1930.0 | nM | 5.71 | Inhibition of human BCRP expressed in MDCK2 cells preincubated for 30 mins prior... | 23017888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29547272 | 10.1021/acs.jmedchem.7b01012 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 23017888 | 10.1016/j.bmcl.2012.08.024 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
Data from ChEMBL 36 via Core Engine