Compound Detail
CHEMBL4095392
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 | CHEMBL4095392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUSMKRLXJZILHS-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
3.17
ALogP
7
HBA
2
HBD
108.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 6.68 | 6.67 | 211.0 | 3 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.52 | 6.3633 | 299.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 211.0 | nM | 6.68 | Potentiation of mitoxantrone induced antiproliferative activity against human H4... | 28916341 |
| NCI-H460 | IC50 | = | 212.0 | nM | 6.67 | Potentiation of mitoxantrone induced antiproliferative activity against human H4... | 28916341 |
| NCI-H460 | IC50 | = | 217.0 | nM | 6.66 | Potentiation of mitoxantrone induced antiproliferative activity against human H4... | 28916341 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 299.0 | nM | 6.52 | Inhibition of ABCG2 in human H460/MX20 cells assessed as potentiation of mitoxan... | 28916341 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 491.0 | nM | 6.31 | Inhibition of ABCG2 in human H460/MX20 cells assessed as potentiation of mitoxan... | 28916341 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 549.0 | nM | 6.26 | Inhibition of ABCG2 in human H460/MX20 cells assessed as potentiation of mitoxan... | 28916341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28916341 | 10.1016/j.bmcl.2017.09.009 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 5 |
| 28916341 | 10.1016/j.bmcl.2017.09.009 | Unchecked | 4 |
| 28916341 | 10.1016/j.bmcl.2017.09.009 | NCI-H460 | 4 |
Data from ChEMBL 36 via Core Engine