Compound Detail
CHEMBL4555453
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O=C(Cc1ccccc1)Nc1nnc(C[C@H]2C[C@@H]2Cc2nnc(NC(=O)Cc3ccccc3)s2)s1
Basic Information
| ChEMBL ID | CHEMBL4555453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HROAFZLZQSBWII-RTBURBONSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
4.17
ALogP
8
HBA
2
HBD
109.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 100.0 | nM | 7.0 | Inhibition of GAC (unknown origin) | 30522056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30522056 | 10.1016/j.ejmech.2018.11.066 | Glutaminase kidney isoform, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine