Compound Detail
CHEMBL500137
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CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(C(=O)NCc3ccccc3)nn2)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL500137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOPJQNRJGIFUQS-HNLJFRNMSA-N |
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
-0.45
ALogP
9
HBA
4
HBD
129.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 6 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18674915 | 10.1016/j.bmc.2008.06.044 | Galectin-3 | 1 |
| 20538469 | 10.1016/j.bmc.2010.05.040 | Galectin-3 | 1 |
| 20538469 | 10.1016/j.bmc.2010.05.040 | Galectin-7 | 1 |
| 20538469 | 10.1016/j.bmc.2010.05.040 | Galectin-8 | 1 |
| 20538469 | 10.1016/j.bmc.2010.05.040 | Galectin-9 | 1 |
| 24973029 | 10.1016/j.bmcl.2014.05.063 | Galectin-9 | 1 |
| 24973029 | 10.1016/j.bmcl.2014.05.063 | Galectin-1 | 1 |
| 24973029 | 10.1016/j.bmcl.2014.05.063 | Galectin-3 | 1 |
| 24973029 | 10.1016/j.bmcl.2014.05.063 | Galectin-7 | 1 |
| 24973029 | 10.1016/j.bmcl.2014.05.063 | Galectin-8 | 1 |
Data from ChEMBL 36 via Core Engine