Compound Detail
CHEMBL4556013
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O=C(Cc1ccccc1)Nc1nnc([C@@H]2CCC[C@@H](c3nnc(NC(=O)Cc4ccccc4)s3)C2)s1
Basic Information
| ChEMBL ID | CHEMBL4556013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZRVPWLXPUBTMI-WOJBJXKFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.7
MW (Da)
5.19
ALogP
8
HBA
2
HBD
109.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of KGA (unknown origin) using glutamine as substrate preincubated for... | 30148361 |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 100.0 | nM | 7.0 | Inhibition of N-terminal His-tagged GLS1 (unknown origin) expressed in Escherich... | 36996714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30148361 | 10.1021/acs.jmedchem.8b00961 | Unchecked | 1 |
| 36996714 | 10.1016/j.ejmech.2023.115306 | Glutaminase kidney isoform, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine