Compound Detail
CHEMBL3596265
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CCCCCCCCCCCCCCCc1cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c1.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL3596265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQRQPBFKTNNDOK-UHFFFAOYSA-L |
| Parent Compound | CHEMBL3598229 |
| Active Moiety | CHEMBL3598229 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
5.68
ALogP
6
HBA
2
HBD
127.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-(1,3)-fucosyltransferase 7 CHEMBL3596077 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-(1,3)-fucosyltransferase 7 | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of FucT-7 (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00086B | Alpha-(1,3)-fucosyltransferase 7 | 1 |
Data from ChEMBL 36 via Core Engine