Compound Detail
CHEMBL3298110
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Basic Information
| ChEMBL ID | CHEMBL3298110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUHUYJVHOABGDI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
541.1
MW (Da)
5.52
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.43
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chitinase CHEMBL1795119 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chitinase | IC50 | = | 470.0 | nM | 6.33 | Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbell... | 24918716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24918716 | 10.1021/jm5006435 | Unchecked | 3 |
| 24918716 | 10.1021/jm5006435 | Chitinase | 2 |
| 24918716 | 10.1021/jm5006435 | Caenorhabditis elegans | 1 |
Data from ChEMBL 36 via Core Engine