Compound Detail
CHEMBL3670037
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CC(C)(C)OC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Basic Information
| ChEMBL ID | CHEMBL3670037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWLRNPTTYRKLMF-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
615.8
MW (Da)
5.28
ALogP
9
HBA
3
HBD
148.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 8.3 | 7.55 | 5.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 8.3 | 7.55 | 5.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 5.0 | nM | 8.3 | Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhib... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 5.0 | nM | 8.3 | Recombinant Enzyme Assay: Compounds were assessed for their ability to inhibit t... | - |
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Recombinant Enzyme Assay - Time Dependence: Compounds were assessed for their ab... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 160.0 | nM | 6.8 | Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 160.0 | nM | 6.8 | Recombinant Enzyme Assay: No preinc (Column 4). | - |
| Unchecked | IC50 | = | 160.0 | nM | 6.8 | Recombinant Enzyme Assay: Compounds were assessed for their ability to inhibit t... | - |
Data from ChEMBL 36 via Core Engine