Compound Detail
CHEMBL4867768
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Basic Information
| ChEMBL ID | CHEMBL4867768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLZUYLRPWGRHEE-ZTXYIFKNSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
377.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutral amino acid transporter B(0) CHEMBL3562162 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| 5637 CHEMBL612565 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.06 | 4.06 | 88000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutral amino acid transporter B(0) | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of ASCT2 (unknown origin) | 33951490 |
| DU-145 | IC50 | = | 32000.0 | nM | 4.5 | Cytotoxicity against human DU-145 cells assessed as reduction in cell viability ... | 33951490 |
| 5637 | IC50 | = | 33000.0 | nM | 4.48 | Cytotoxicity against human 5637 cells assessed as reduction in cell viability in... | 33951490 |
| Unchecked | IC50 | = | 43000.0 | nM | 4.37 | Cytotoxicity against human UCH2 cells assessed as reduction in cell viability in... | 33951490 |
| MCF7 | IC50 | = | 88000.0 | nM | 4.06 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability in... | 33951490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33951490 | 10.1016/j.bmcl.2021.128078 | Unchecked | 3 |
| 33951490 | 10.1016/j.bmcl.2021.128078 | Neutral amino acid transporter B(0) | 1 |
| 33951490 | 10.1016/j.bmcl.2021.128078 | MCF7 | 1 |
| 33951490 | 10.1016/j.bmcl.2021.128078 | 5637 | 1 |
| 33951490 | 10.1016/j.bmcl.2021.128078 | DU-145 | 1 |
| 33951490 | 10.1016/j.bmcl.2021.128078 | PANC-1 | 1 |
| 33951490 | 10.1016/j.bmcl.2021.128078 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine