Compound Detail
CHEMBL4526906
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c1ccc2c(c1)c1ccccc1n2Cc1cn(Cc2ccc(-c3ccc(Cn4cc(Cn5c6ccccc6c6ccccc65)nn4)cc3)cc2)nn1
Basic Information
| ChEMBL ID | CHEMBL4526906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXXNKPZRKXDCIL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
674.8
MW (Da)
8.95
ALogP
8
HBA
0
HBD
71.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 73000.0 | nM | 4.14 | Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-d-glucopyranosid... | 31112894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Unchecked | 1 |
| 31835168 | 10.1016/j.ejmech.2019.111921 | Beta-glucuronidase | 1 |
Data from ChEMBL 36 via Core Engine