Compound Detail
CHEMBL5972575
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CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3nccnn3)C2)s1)c1cccc(OC(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL5972575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFCRTJFSQLDLHP-TZMCWYRMSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
478.5
MW (Da)
2.34
ALogP
11
HBA
2
HBD
127.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 7.07 | 6.55 | 85.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 85.1 | nM | 7.07 | GLS Enzyme Potency Assay: A Glutamate Oxidase/AmplexRed coupled assay was used t... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 519.0 | nM | 6.29 | GLS Enzyme Potency Assay: A Glutamate Oxidase/AmplexRed coupled assay was used t... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 519.0 | nM | 6.29 | GLS Enzyme Potency Assay: A Glutamate Oxidase/AmplexRed coupled assay was used t... | - |
Data from ChEMBL 36 via Core Engine