Compound Detail
CHEMBL4209191
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Basic Information
| ChEMBL ID | CHEMBL4209191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOPKDKPJTJHLPB-OQLLNIDSSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
5.43
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.69
Ki 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha glucosidase CHEMBL3833502 | Ki | 4.75 | 4.75 | 17700.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 4.7 | 4.7 | 19900.0 | 1 |
| Alpha glucosidase CHEMBL3833502 | IC50 | 4.69 | 4.69 | 20600.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.46 | 4.46 | 35100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha glucosidase | Ki | = | 17700.0 | nM | 4.75 | Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dix... | 29306546 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 19900.0 | nM | 4.7 | Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherich... | 29306546 |
| Alpha glucosidase | IC50 | = | 20600.0 | nM | 4.69 | Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate measur... | 29306546 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 35100.0 | nM | 4.46 | Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherich... | 29306546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29306546 | 10.1016/j.bmc.2017.12.043 | Alpha glucosidase | 3 |
| 29306546 | 10.1016/j.bmc.2017.12.043 | Tyrosine-protein phosphatase non-receptor type 1 | 3 |
Data from ChEMBL 36 via Core Engine