Compound Detail
CHEMBL4562029
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O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)cn1
Basic Information
| ChEMBL ID | CHEMBL4562029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWQHDHACYVMQLI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
570.6
MW (Da)
5.15
ALogP
8
HBA
2
HBD
119.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Glutaminase kidney isoform, mitochondrial CHEMBL4523110 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 50.0 | nM | 7.3 | Inhibition of mouse kidney glutaminase assessed as ammonia formation using gluta... | 29969024 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of mouse brain glutaminase assessed as ammonia formation using glutam... | 29969024 |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 50.0 | nM | 7.3 | Inhibition of recombinant GAC (unknown origin) after 15 mins in presence of NADP... | 30522056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29969024 | 10.1021/acs.jmedchem.8b00327 | Glutaminase kidney isoform, mitochondrial | 1 |
| 29969024 | 10.1021/acs.jmedchem.8b00327 | Unchecked | 1 |
| 30522056 | 10.1016/j.ejmech.2018.11.066 | Glutaminase kidney isoform, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine