Compound Detail
CHEMBL202519
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Basic Information
| ChEMBL ID | CHEMBL202519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQJDUEKERVZLLU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
123.2
MW (Da)
0.85
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL2044 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial | IC50 | = | 15400.0 | nM | 4.81 | Inhibitory activity against GABAT | 16290145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19232496 | 10.1016/j.bmc.2009.01.041 | Cytokinin dehydrogenase 1 | 3 |
| 16290145 | 10.1016/j.bmcl.2005.10.040 | Succinate-semialdehyde dehydrogenase, mitochondrial | 1 |
| 16290145 | 10.1016/j.bmcl.2005.10.040 | 4-aminobutyrate aminotransferase, mitochondrial | 1 |
| 30528168 | 10.1016/j.bmcl.2018.11.055 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine