Compound Detail
CHEMBL500579
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Basic Information
| ChEMBL ID | CHEMBL500579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRXBKSZGQHXBDO-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
184.6
MW (Da)
2.20
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Ki 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL3148 | IC50 | 5.4 | 5.4 | 3990.0 | 1 |
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL3148 | Ki | 4.61 | 4.61 | 24300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial | IC50 | = | 3990.0 | nM | 5.4 | Inhibition of GABA transaminase in rat brain by Kitz-Wilson plot | 19138517 |
| 4-aminobutyrate aminotransferase, mitochondrial | Ki | = | 24300.0 | nM | 4.61 | Activity of GABA transaminase in rat brain | 19138517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19138517 | 10.1016/j.bmcl.2008.12.033 | 4-aminobutyrate aminotransferase, mitochondrial | 9 |
Data from ChEMBL 36 via Core Engine