Compound Detail
CHEMBL5836952
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COC(=O)N[C@@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3C(=O)N2C1
Basic Information
| ChEMBL ID | CHEMBL5836952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGORTDMUPRBJFX-ZIAGYGMSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
496.9
MW (Da)
1.88
ALogP
8
HBA
2
HBD
136.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 0.5 | nM | 9.3 | Inhibitory Test of TNAP Activity: COS1 cells (DS Pharma Biomedical Co., Ltd.) we... | - |
Data from ChEMBL 36 via Core Engine