Compound Detail
CHEMBL236746
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Basic Information
| ChEMBL ID | CHEMBL236746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJUGXWDFASJMLG-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.3
MW (Da)
0.24
ALogP
4
HBA
4
HBD
138.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.0
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SF-268 | IC50 | = | 10000.0 | nM | 5.0 | Growth inhibition of human SF268 cells after 4 days by MTT assay | 17963374 |
| SF-268 | IC50 | = | 10700.0 | nM | 4.97 | Growth inhibition of human SF268 cells after 4 days by MTT assay | 17963374 |
| NCI-H460 | IC50 | = | 12589.25 | nM | 4.9 | Growth inhibition of human NCI-H460 cells after 4 days by MTT assay | 17963374 |
| NCI-H460 | IC50 | = | 13800.0 | nM | 4.86 | Growth inhibition of human NCI-H460 cells after 4 days by MTT assay | 17963374 |
| MCF7 | IC50 | = | 15848.93 | nM | 4.8 | Growth inhibition of human MCF7 cells after 4 days by MTT assay | 17963374 |
| MCF7 | IC50 | = | 17780.0 | nM | 4.75 | 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