Compound Detail
CHEMBL3655717
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Basic Information
| ChEMBL ID | CHEMBL3655717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEUGUKBHFKXAEZ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
212.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
| Thioredoxin reductase CHEMBL3638339 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.52 | 4.505 | 30180.0 | 2 |
| DU-145 CHEMBL613508 | IC50 | 4.52 | 4.52 | 30200.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.49 | 4.49 | 32700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 10400.0 | nM | 4.98 | Non-covalent/mixed type inhibition of recombinant human MetAP2 using Met-AMC as ... | 27692546 |
| Thioredoxin reductase | IC50 | = | 15000.0 | nM | 4.82 | Inhibition Assay: All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2... | - |
| NON-PROTEIN TARGET | IC50 | = | 30180.0 | nM | 4.52 | Cytotoxicity against human DU145 cells assessed as reduction in cell viability m... | 28029457 |
| DU-145 | IC50 | = | 30200.0 | nM | 4.52 | Antitumor activity against human DU-145 cells assessed as cell growth inhibition | 36858050 |
| NON-PROTEIN TARGET | IC50 | = | 32670.0 | nM | 4.49 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability me... | 28029457 |
| MCF7 | IC50 | = | 32700.0 | nM | 4.49 | Antitumor activity against human MCF7 cells assessed as cell growth inhibition | 36858050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28029457 | 10.1016/j.bmc.2016.10.018 | No relevant target | 5 |
| 28029457 | 10.1016/j.bmc.2016.10.018 | NON-PROTEIN TARGET | 3 |
| 27692546 | 10.1016/j.bmcl.2016.09.050 | Aminopeptidase N | 2 |
| 27692546 | 10.1016/j.bmcl.2016.09.050 | Leucine aminopeptidase | 1 |
| 27692546 | 10.1016/j.bmcl.2016.09.050 | Methionine aminopeptidase 2 | 1 |
| 36858050 | 10.1021/acs.jmedchem.2c01406 | MCF7 | 1 |
| 36858050 | 10.1021/acs.jmedchem.2c01406 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine