Compound Detail
CHEMBL439835
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Basic Information
| ChEMBL ID | CHEMBL439835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAUYYPSVXBBKLK-DAFODLJHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
149.6
MW (Da)
0.19
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL2266 | Ki | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial | Ki | = | 24000.0 | nM | 4.62 | 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 | 1 |
Data from ChEMBL 36 via Core Engine