Compound Detail
CHEMBL4552664
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Basic Information
| ChEMBL ID | CHEMBL4552664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVZNKLNAHBTINT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
5.62
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase liver isoform, mitochondrial CHEMBL4105730 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase liver isoform, mitochondrial | IC50 | = | 280.0 | nM | 6.55 | Inhibition of GLS2 (unknown origin) | 30148361 |
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of KGA (unknown origin) | 30148361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30148361 | 10.1021/acs.jmedchem.8b00961 | Glutaminase liver isoform, mitochondrial | 1 |
| 30148361 | 10.1021/acs.jmedchem.8b00961 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine