Compound Detail
CHEMBL5935757
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COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)C(=O)N1C[C@@H](F)C[C@@H]1CO2
Basic Information
| ChEMBL ID | CHEMBL5935757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BESIKZGWDMXHSW-WCQYABFASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
441.9
MW (Da)
2.49
ALogP
6
HBA
1
HBD
97.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 0.8 | nM | 9.1 | Inhibitory Test of TNAP Activity: COS1 cells (DS Pharma Biomedical Co., Ltd.) we... | - |
Data from ChEMBL 36 via Core Engine