Compound Detail
CHEMBL3884050
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 | CHEMBL3884050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGIDDZPEVSEWTC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
4.60
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.44 | 5.4 | 3630.0 | 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 | = | 3630.0 | nM | 5.44 | Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assesse... | 27676469 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 4390.0 | nM | 5.36 | Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assesse... | 27676469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27676469 | 10.1016/j.ejmech.2016.09.010 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 4 |
Data from ChEMBL 36 via Core Engine