Compound Detail
CHEMBL464925
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Basic Information
| ChEMBL ID | CHEMBL464925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUVGEKPNSCFQIR-AOSYACOCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.5
MW (Da)
6.05
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glyceraldehyde-3-phosphate dehydrogenase, glycosomal CHEMBL5926 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glyceraldehyde-3-phosphate dehydrogenase, glycosomal | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escher... | 19254846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19254846 | 10.1016/j.bmc.2009.01.079 | Glyceraldehyde-3-phosphate dehydrogenase, glycosomal | 1 |
Data from ChEMBL 36 via Core Engine