Compound Detail
CHEMBL6056981
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N=C(CCCCC(=N)SC(=N)NC(=O)Cc1cccc2ncccc12)SC(=N)CC(=O)Cc1cccc2ncccc12
Basic Information
| ChEMBL ID | CHEMBL6056981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDJBGAQZEOBHBR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
597.8
MW (Da)
6.54
ALogP
10
HBA
5
HBD
167.3
PSA (Ų)
0.07
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 140.0 | nM | 6.85 | Recombinant Enzyme Assay: No preinc (Column 4). | - |
Data from ChEMBL 36 via Core Engine