Compound Detail
CHEMBL4454263
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Cn1ccc(CC(=O)Nc2nnc([C@H]3CC4(C[C@H](c5nnc(NC(=O)Cc6ccn(C)n6)s5)C4)C3)s2)n1
Basic Information
| ChEMBL ID | CHEMBL4454263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFQQMSSEDOSDLD-GJDIJTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.7
MW (Da)
2.66
ALogP
12
HBA
2
HBD
145.4
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 0.5 | nM | 9.3 | Inhibition of kidney-type glutaminase in human BT20 cells assessed as reduction ... | 29969024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29969024 | 10.1021/acs.jmedchem.8b00327 | Glutaminase kidney isoform, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine