Compound Detail
CHEMBL3669867
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COc1cccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4cccc(OC)c4)s3)s2)c1
Basic Information
| ChEMBL ID | CHEMBL3669867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCXUZDJSWFZINK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
584.8
MW (Da)
4.29
ALogP
11
HBA
2
HBD
128.2
PSA (Ų)
0.21
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 6.92 | 6.92 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 120.0 | nM | 6.92 | Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 120.0 | nM | 6.92 | Recombinant Enzyme Assay: No preinc (Column 4). | - |
Data from ChEMBL 36 via Core Engine