Compound Detail
CHEMBL382634
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Basic Information
| ChEMBL ID | CHEMBL382634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQJHPQTYWOEJHT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
268.2
MW (Da)
1.83
ALogP
4
HBA
3
HBD
104.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase, glycosomal CHEMBL4916 | Ki | 4.64 | 4.64 | 23030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase, glycosomal | Ki | = | 23030.0 | nM | 4.64 | Inhibition of Trypanosoma brucei class1 Aldolase | 16509566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509566 | 10.1021/jm050237b | Fructose-bisphosphate aldolase, glycosomal | 25 |
| 16509566 | 10.1021/jm050237b | Fructose-bisphosphate aldolase A | 5 |
| 16509566 | 10.1021/jm050237b | Fructose-1,6-bisphospate aldolase | 1 |
| 16509566 | 10.1021/jm050237b | Aldolase | 1 |
Data from ChEMBL 36 via Core Engine