Compound Detail
CHEMBL438976
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Basic Information
| ChEMBL ID | CHEMBL438976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEXVQVXXIIQXET-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.2
MW (Da)
0.55
ALogP
5
HBA
5
HBD
153.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase CHEMBL4151 | IC50 | 5.74 | 5.74 | 1819.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase | IC50 | = | 1820.0 | nM | 5.74 | Inhibitory activity against Trypanosoma cruzi hexokinase | 16392806 |
| Hexokinase | IC50 | = | 1819.7 | nM | 5.74 | Inhibitory activity against Trypanosoma cruzi hexokinase | 16392806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392806 | 10.1021/jm0582625 | Hexokinase | 2 |
| 16392806 | 10.1021/jm0582625 | KB | 1 |
| 16392806 | 10.1021/jm0582625 | ADMET | 1 |
| 16392806 | 10.1021/jm0582625 | Dictyostelium discoideum | 1 |
Data from ChEMBL 36 via Core Engine