Compound Detail
CHEMBL4740703
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Basic Information
| ChEMBL ID | CHEMBL4740703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMAFDZYZUPMMAI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
5.62
ALogP
3
HBA
2
HBD
47.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL2044 | IC50 | 4.91 | 4.91 | 12230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial | IC50 | = | 12230.0 | nM | 4.91 | Inhibition of GABA-AT (unknown origin) | 37012671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32631563 | 10.1016/j.bmc.2020.115585 | Mus musculus | 2 |
| 32631563 | 10.1016/j.bmc.2020.115585 | Unchecked | 2 |
| 37012671 | 10.1021/acs.jmedchem.2c01975 | Mus musculus | 2 |
| 32631563 | 10.1016/j.bmc.2020.115585 | ADMET | 1 |
| 37012671 | 10.1021/acs.jmedchem.2c01975 | 4-aminobutyrate aminotransferase, mitochondrial | 1 |
| 37012671 | 10.1021/acs.jmedchem.2c01975 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine