Compound Detail
CHEMBL4547874
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O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(C[C@H]2C[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1
Basic Information
| ChEMBL ID | CHEMBL4547874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGGJWHRHXQHWAX-HDICACEKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
583.6
MW (Da)
4.72
ALogP
9
HBA
2
HBD
131.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 0.2 | nM | 9.7 | 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