Compound Detail
CHEMBL4286719
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Basic Information
| ChEMBL ID | CHEMBL4286719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNWHVQRUCQSWIO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
1.84
ALogP
6
HBA
2
HBD
130.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 54000.0 | nM | 4.27 | Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-d-glucopyranosid... | 31112894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30015075 | 10.1016/j.ejmech.2018.07.007 | No relevant target | 1 |
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Unchecked | 1 |
| - | 10.6019/CHEMBL4513135 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513135 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513135 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513135 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513135 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513135 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513135 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine