Compound Detail
CHEMBL3903585
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CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)C(CCS(=O)(=O)O)C3=O)c3ccccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL3903585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZPXYKJBCGWAPY-XDOYNYLZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
546.6
MW (Da)
3.32
ALogP
8
HBA
2
HBD
130.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 2200.0 | nM | 5.66 | Phosphotyrosine Phosphatase Activity (DiFMUP) Assay: IC50 values for indoline Sh... | - |
Data from ChEMBL 36 via Core Engine