Compound Detail
CHEMBL4746439
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4746439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBLNZOCTNRXJQD-YFKPBYRVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
175.1
MW (Da)
0.88
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Ki 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL2044 | IC50 | 5.01 | 5.01 | 9690.0 | 1 |
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL2266 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial | IC50 | = | 9690.0 | nM | 5.01 | Inhibition of GABA-AT (unknown origin) | 37012671 |
| 4-aminobutyrate aminotransferase, mitochondrial | Ki | = | 10000.0 | nM | 5.0 | 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 | 1 |
| 37012671 | 10.1021/acs.jmedchem.2c01975 | 4-aminobutyrate aminotransferase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine