Compound Detail
CHEMBL2205724
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Basic Information
| ChEMBL ID | CHEMBL2205724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFZBMXOEFQYZPS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
224.2
MW (Da)
1.81
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arylsulfatase CHEMBL5816 | Ki | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arylsulfatase | Ki | = | 29000.0 | nM | 4.54 | Inhibition of Pseudomonas aeruginosa aryl sulfatase after 20 mins by spectrophot... | 21570853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21570853 | 10.1016/j.bmc.2011.04.044 | Arylsulfatase | 5 |
Data from ChEMBL 36 via Core Engine