Compound Detail
CHEMBL4442957
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Basic Information
| ChEMBL ID | CHEMBL4442957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNLIEEDMRCOXFB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
530.7
MW (Da)
2.95
ALogP
11
HBA
2
HBD
119.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human KGA preincubated for 15 to 30 mins followed by substrate add... | 30543285 |
| A549 | IC50 | = | 2200.0 | nM | 5.66 | Antiproliferative activity against human A549 cells after 5 days by EZMTT reagen... | 30543285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30543285 | 10.1021/acs.jmedchem.8b01198 | A549 | 2 |
| 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