Compound Detail
CHEMBL4565442
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Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4cc(Cl)c(Cl)cc4Cl)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4cc(Cl)c(Cl)cc4Cl)cc23)cc1
Basic Information
| ChEMBL ID | CHEMBL4565442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSPOPRLBQLNQLB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
939.5
MW (Da)
9.30
ALogP
6
HBA
6
HBD
182.1
PSA (Ų)
0.06
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Alpha glucosidase CHEMBL3833502 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of alpha-glucosidase (unknown origin) | 32008883 |
| Alpha glucosidase | IC50 | = | 300.0 | nM | 6.52 | Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glu... | 31112894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Alpha glucosidase | 1 |
| 32008883 | 10.1016/j.bmc.2019.115263 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine