Compound Detail
CHEMBL4475144
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cn1cc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)[se]2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL4475144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXEMFXKENLKIDH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
670.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| CAKI-1 CHEMBL614067 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| A549 CHEMBL392 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human KGA preincubated for 15 to 30 mins followed by substrate add... | 30543285 |
| HCT-116 | IC50 | = | 9.0 | nM | 8.05 | Antiproliferative activity against human HCT116 cells after 5 days by EZMTT reag... | 30543285 |
| CAKI-1 | IC50 | = | 14.0 | nM | 7.85 | Antiproliferative activity against human Caki1 cells after 5 days by EZMTT reage... | 30543285 |
| A549 | IC50 | = | 17.0 | nM | 7.77 | Antiproliferative activity against human A549 cells after 5 days by EZMTT reagen... | 30543285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30543285 | 10.1021/acs.jmedchem.8b01198 | A549 | 2 |
| 30543285 | 10.1021/acs.jmedchem.8b01198 | H22 | 2 |
| 30543285 | 10.1021/acs.jmedchem.8b01198 | CAKI-1 | 2 |
| 30543285 | 10.1021/acs.jmedchem.8b01198 | HCT-116 | 2 |
| 30543285 | 10.1021/acs.jmedchem.8b01198 | Unchecked | 1 |
| 30543285 | 10.1021/acs.jmedchem.8b01198 | Glutaminase kidney isoform, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine