Compound Detail
CHEMBL2283221
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Basic Information
| ChEMBL ID | CHEMBL2283221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPPLYYOOMJYZTO-NKFKGCMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
2.41
ALogP
6
HBA
4
HBD
125.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL3148 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial | IC50 | = | 240.0 | nM | 6.62 | Inhibition of Rattus norvegicus (rat) brain gamma-amino butyrate aminotransferas... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0023-0 | 4-aminobutyrate aminotransferase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine