Compound Detail
CHEMBL378577
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Basic Information
| ChEMBL ID | CHEMBL378577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKPPNPJUBLEKAD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
148.2
MW (Da)
1.76
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Succinate-semialdehyde dehydrogenase, mitochondrial CHEMBL1911 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL2044 | IC50 | 5.26 | 5.26 | 5480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Succinate-semialdehyde dehydrogenase, mitochondrial | IC50 | = | 350.0 | nM | 6.46 | Inhibitory activity against SSADH | 16290145 |
| 4-aminobutyrate aminotransferase, mitochondrial | IC50 | = | 5480.0 | nM | 5.26 | Inhibitory activity against GABAT | 16290145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16690313 | 10.1016/j.bmcl.2006.04.051 | Unchecked | 2 |
| 16290145 | 10.1016/j.bmcl.2005.10.040 | Succinate-semialdehyde dehydrogenase, mitochondrial | 1 |
| 16290145 | 10.1016/j.bmcl.2005.10.040 | 4-aminobutyrate aminotransferase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine