Compound Detail
CHEMBL353363
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Basic Information
| ChEMBL ID | CHEMBL353363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAOAKJZTKSOIOL-DAFODLJHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
133.1
MW (Da)
-0.07
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL2044 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL2266 | Ki | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial | Ki | = | 9000.0 | nM | 5.05 | Compound was tested for the inhibitory effect against Gamma-amino-N-butyrate tra... | 3701787 |
| 4-aminobutyrate aminotransferase, mitochondrial | Ki | = | 19000.0 | nM | 4.72 | Compound was tested for the inhibitory effect against Gamma-amino-N-butyrate tra... | 3701787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3701787 | 10.1021/jm00155a029 | 4-aminobutyrate aminotransferase, mitochondrial | 6 |
Data from ChEMBL 36 via Core Engine