Compound Detail
CHEMBL5853208
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OCC1O[C@@H](SC2O[C@H](CO)C(O)C(n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)C(O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5853208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIBIFYGBQWHFIZ-SLNRTWQBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
720.6
MW (Da)
0.43
ALogP
15
HBA
6
HBD
201.3
PSA (Ų)
0.11
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galectin-3 CHEMBL4531 | Kd | 9.0 | 9.0 | 1.0 | 1 |
| Galectin-1 CHEMBL4915 | Kd | 7.1 | 7.1 | 79.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galectin-3 | Kd | = | 1.0 | nM | 9.0 | Evaluation of Kd Values: The affinity of compounds 3a-c for galectins were deter... | - |
| Galectin-1 | Kd | = | 79.0 | nM | 7.1 | Evaluation of Kd Values: The affinity of compounds 3a-c for galectins were deter... | - |
Data from ChEMBL 36 via Core Engine