Compound Detail
CHEMBL6039931
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CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2nnc(CCCC/C(N)=C/C=C(\N)NC(=O)Cc3ccccc3)s2)c1
Basic Information
| ChEMBL ID | CHEMBL6039931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJRVPRWNUBBSMD-WVZLMVLXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
624.8
MW (Da)
4.15
ALogP
9
HBA
4
HBD
170.2
PSA (Ų)
0.13
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
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 | Recombinant Enzyme Assay: Compounds were assessed for their ability to inhibit t... | - |
Data from ChEMBL 36 via Core Engine