Compound Detail
CHEMBL2408382
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Cc1ccc2c(=O)c(C(=O)O)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1
Basic Information
| ChEMBL ID | CHEMBL2408382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORHMVTHJIPEHLL-NMFUWQPSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.3
MW (Da)
-0.38
ALogP
7
HBA
4
HBD
129.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glyceraldehyde-3-phosphate dehydrogenase, glycosomal CHEMBL5926 | Ki | 4.77 | 4.77 | 17100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glyceraldehyde-3-phosphate dehydrogenase, glycosomal | Ki | = | 17100.0 | nM | 4.77 | Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site b... | 23850203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23850203 | 10.1016/j.bmcl.2013.06.029 | Unchecked | 3 |
| 23850203 | 10.1016/j.bmcl.2013.06.029 | Glyceraldehyde-3-phosphate dehydrogenase, glycosomal | 3 |
| 23850203 | 10.1016/j.bmcl.2013.06.029 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine