Compound Detail
CHEMBL393054
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Basic Information
| ChEMBL ID | CHEMBL393054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFXHUBLFYMUMQK-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
276.2
MW (Da)
-0.55
ALogP
3
HBA
3
HBD
117.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.1
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 79432.82 | nM | 4.1 | Growth inhibition of human NCI-H460 cells after 4 days by MTT assay | 17963374 |
| SF-268 | IC50 | = | 79432.82 | nM | 4.1 | Growth inhibition of human SF268 cells after 4 days by MTT assay | 17963374 |
| NCI-H460 | IC50 | = | 83180.0 | nM | 4.08 | Growth inhibition of human NCI-H460 cells after 4 days by MTT assay | 17963374 |
| SF-268 | IC50 | = | 87800.0 | nM | 4.06 | Growth inhibition of human SF268 cells after 4 days by MTT assay | 17963374 |
| MCF7 | IC50 | = | 95500.0 | nM | 4.02 | Growth inhibition of human MCF7 cells after 4 days by MTT assay | 17963374 |
| MCF7 | IC50 | = | 100000.0 | nM | 4.0 | Growth inhibition of human MCF7 cells after 4 days by MTT assay | 17963374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17963374 | 10.1021/jm700991k | NCI-H460 | 2 |
| 17963374 | 10.1021/jm700991k | MCF7 | 2 |
| 17963374 | 10.1021/jm700991k | SF-268 | 2 |
Data from ChEMBL 36 via Core Engine