Compound Detail
CHEMBL3740895
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Basic Information
| ChEMBL ID | CHEMBL3740895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXLWAGVDAWVTRE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
5.95
ALogP
6
HBA
1
HBD
78.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chitinase CHEMBL1795119 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chitinase | IC50 | = | 410.0 | nM | 6.39 | Inhibition of Onchocerca volvulus chitinase by fluorescence based assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00182J | Chitinase | 1 |
Data from ChEMBL 36 via Core Engine