Compound Detail
CHEMBL4097406
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O=C(Cn1cc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)nn1)Nc1cc(Cl)ccc1Cl
Basic Information
| ChEMBL ID | CHEMBL4097406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIPIUYMBLRCNQD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
548.5
MW (Da)
6.03
ALogP
8
HBA
1
HBD
98.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal alpha-glucosidase CHEMBL2608 | IC50 | 4.93 | 4.93 | 11630.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.93 | 4.93 | 11630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal alpha-glucosidase | IC50 | = | 11630.0 | nM | 4.93 | Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glu... | 27689725 |
| Unchecked | IC50 | = | 11630.0 | nM | 4.93 | Inhibition of alpha-glucosidase (unknown origin) | 32008883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27689725 | 10.1016/j.ejmech.2016.09.067 | Unchecked | 1 |
| 27689725 | 10.1016/j.ejmech.2016.09.067 | Lysosomal alpha-glucosidase | 1 |
| 32008883 | 10.1016/j.bmc.2019.115263 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine