Compound Detail
CHEMBL3680005
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O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3F)s2)nn1
Basic Information
| ChEMBL ID | CHEMBL3680005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWKLHIDOFDFNQS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
588.6
MW (Da)
5.29
ALogP
8
HBA
2
HBD
119.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 8.22 | 8.22 | 6.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 6.0 | nM | 8.22 | Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhib... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 6.0 | nM | 8.22 | Recombinant Enzyme Assay: Compounds were assessed for their ability to inhibit t... | - |
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Recombinant Enzyme Assay - Time Dependence: Compounds were assessed for their ab... | - |
Data from ChEMBL 36 via Core Engine