Compound Detail
CHEMBL5927739
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COc1ccc([C@H](OC)C(=O)Nc2nnc(N[C@@H]3CCN(c4cccnn4)C3)s2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL5927739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNUWQKDWWYQUFR-KDOFPFPSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
2.36
ALogP
11
HBA
2
HBD
123.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 6.87 | 6.87 | 135.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 135.0 | nM | 6.87 | GLS Enzyme Potency Assay: A Glutamate Oxidase/AmplexRed coupled assay was used t... | - |
Data from ChEMBL 36 via Core Engine