Compound Detail
CHEMBL4747359
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Basic Information
| ChEMBL ID | CHEMBL4747359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKNQWWQSPJIUPN-WHFBIAKZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
145.1
MW (Da)
0.07
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL2266 | Ki | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial | Ki | = | 26000.0 | nM | 4.58 | Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA ... | 33062178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33062178 | 10.1021/acsmedchemlett.9b00672 | 4-aminobutyrate aminotransferase, mitochondrial | 13 |
| 33062178 | 10.1021/acsmedchemlett.9b00672 | Unchecked | 2 |
| 33062178 | 10.1021/acsmedchemlett.9b00672 | Ornithine aminotransferase, mitochondrial | 2 |
| 33062178 | 10.1021/acsmedchemlett.9b00672 | Aspartate aminotransferase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine