Compound Detail
CHEMBL3674970
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOC(=O)NCc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
Basic Information
| ChEMBL ID | CHEMBL3674970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMFZBCFZUPGXRB-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
587.7
MW (Da)
4.50
ALogP
9
HBA
3
HBD
148.1
PSA (Ų)
0.18
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 8.52 | 7.805 | 3.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 3.0 | nM | 8.52 | Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhib... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 3.0 | nM | 8.52 | Recombinant Enzyme Assay: Compounds were assessed for their ability to inhibit t... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 81.0 | nM | 7.09 | Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 81.0 | nM | 7.09 | Recombinant Enzyme Assay: No preinc (Column 4). | - |
Data from ChEMBL 36 via Core Engine