Compound Detail
CHEMBL3670038
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Basic Information
| ChEMBL ID | CHEMBL3670038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQQDUMPAIYZLDT-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
3.71
ALogP
8
HBA
3
HBD
135.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 7.89 | 7.39 | 13.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 13.0 | nM | 7.89 | Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhib... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 13.0 | nM | 7.89 | Recombinant Enzyme Assay: Compounds were assessed for their ability to inhibit t... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 130.0 | nM | 6.89 | Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 130.0 | nM | 6.89 | Recombinant Enzyme Assay: No preinc (Column 4). | - |
Data from ChEMBL 36 via Core Engine