Compound Detail
CHEMBL2178396
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Basic Information
| ChEMBL ID | CHEMBL2178396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDZSRJONOQIGDJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
2.72
ALogP
8
HBA
2
HBD
106.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 5.72 | 5.72 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as su... | 23151085 |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 1900.0 | nM | 5.72 | High Throughput Screening (HTS) Assa: A high throughput screening (HTS) assay an... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30543285 | 10.1021/acs.jmedchem.8b01198 | A549 | 2 |
| 23151085 | 10.1021/jm301191p | Liver | 1 |
| 23151085 | 10.1021/jm301191p | No relevant target | 1 |
| 23151085 | 10.1021/jm301191p | Glutaminase kidney isoform, mitochondrial | 1 |
| 30543285 | 10.1021/acs.jmedchem.8b01198 | Unchecked | 1 |
| 30543285 | 10.1021/acs.jmedchem.8b01198 | Glutaminase kidney isoform, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine