Compound Detail
CHEMBL163117
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Basic Information
| ChEMBL ID | CHEMBL163117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMLGUKKNNZUWAE-YUPRTTJUSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
147.2
MW (Da)
0.15
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL2266 | Ki | 4.92 | 4.6 | 12000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial | Ki | = | 12000.0 | nM | 4.92 | Compound was evaluated for the competitive inhibition of of Gamma-amino-N-butyra... | 10691696 |
| 4-aminobutyrate aminotransferase, mitochondrial | Ki | = | 53000.0 | nM | 4.28 | 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 | 14 |
| 10691696 | 10.1021/jm9904755 | 4-aminobutyrate aminotransferase, mitochondrial | 3 |
| 10691696 | 10.1021/jm9904755 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine