Compound Detail
CHEMBL461455
PHENYLHEXYL ISOSELENOCYANATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL461455 |
| Name | PHENYLHEXYL ISOSELENOCYANATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPNZXCHCPXLBOM-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
266.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UACC-903 CHEMBL612446 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Caco-2 CHEMBL614058 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| HT-1080 CHEMBL614580 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| T98G CHEMBL614775 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caco-2 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human Caco-2 cells after 72 hrs by MTS assay | 19053750 |
| UACC-903 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human UACC-903 cells after 72 hrs by MTS assay | 19053750 |
| HT-1080 | IC50 | = | 12000.0 | nM | 4.92 | Cytotoxicity against human HT1080 cells after 72 hrs by MTS assay | 19053750 |
| PC-3 | IC50 | = | 14000.0 | nM | 4.85 | Cytotoxicity against human PC-3 cells after 72 hrs by MTS assay | 19053750 |
| MDA-MB-231 | IC50 | = | 22000.0 | nM | 4.66 | Cytotoxicity against human MDA-MB-231 cells after 72 hrs by MTS assay | 19053750 |
| T98G | IC50 | = | 23000.0 | nM | 4.64 | Cytotoxicity against human T98G cells after 72 hrs by MTS assay | 19053750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053750 | 10.1021/jm800993r | UACC-903 | 6 |
| 19053750 | 10.1021/jm800993r | MDA-MB-231 | 1 |
| 19053750 | 10.1021/jm800993r | T98G | 1 |
| 19053750 | 10.1021/jm800993r | PC-3 | 1 |
| 19053750 | 10.1021/jm800993r | Caco-2 | 1 |
| 19053750 | 10.1021/jm800993r | HT-1080 | 1 |
| 19053750 | 10.1021/jm800993r | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine