Compound Detail
CHEMBL419813
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Basic Information
| ChEMBL ID | CHEMBL419813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBSDWXDIUDVARV-SSDVNMTOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.3
MW (Da)
4.53
ALogP
6
HBA
0
HBD
74.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 4.25 | 4.25 | 56234.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 56234.13 | nM | 4.25 | Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was de... | 15081008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081008 | 10.1016/j.bmcl.2004.02.025 | Glyceraldehyde-3-phosphate dehydrogenase | 1 |
| 32668302 | 10.1016/j.ejmech.2020.112514 | Leishmania major | 1 |
Data from ChEMBL 36 via Core Engine