Compound Detail
CHEMBL3675154
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O=C(CC(O)C(F)(F)F)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Basic Information
| ChEMBL ID | CHEMBL3675154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEHNOKCOJXSWSP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
655.7
MW (Da)
4.19
ALogP
9
HBA
4
HBD
159.1
PSA (Ų)
0.14
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 8.4 | 8.4 | 4.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 4.0 | nM | 8.4 | Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhib... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 4.0 | nM | 8.4 | Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhib... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 4.0 | nM | 8.4 | Recombinant Enzyme Assay: Compounds were assessed for their ability to inhibit t... | - |
Data from ChEMBL 36 via Core Engine