Compound Detail
CHEMBL3664892
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Basic Information
| ChEMBL ID | CHEMBL3664892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZELITLJGUBPLHC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
4.41
ALogP
9
HBA
2
HBD
109.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 5.97 | 5.5833 | 1060.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 1060.0 | nM | 5.97 | Inhibition of human KGA (1 to 669 residues) preincubated for 20 mins using 7 mM ... | 29969024 |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 4100.0 | nM | 5.39 | Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 4100.0 | nM | 5.39 | Recombinant Enzyme Assay: No preinc (Column 4). | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29969024 | 10.1021/acs.jmedchem.8b00327 | Glutaminase kidney isoform, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine