Compound Detail
CHEMBL5807477
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
OCC1O[C@H](Sc2ccc(Cl)c(Cl)c2)C(O)[C@@H](n2cc(-c3csc(Cl)n3)nn2)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5807477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPGQRMSFHPPXIU-BEBHXBEKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.8
MW (Da)
3.13
ALogP
10
HBA
3
HBD
113.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galectin-1 CHEMBL4915 | Kd | 6.31 | 6.31 | 490.0 | 1 |
| Galectin-3 CHEMBL4531 | Kd | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galectin-1 | Kd | = | 490.0 | nM | 6.31 | fluorescence anisotropy assay: The affinity of Example 1-33 for galectins were d... | - |
| Galectin-3 | Kd | = | 1400.0 | nM | 5.85 | fluorescence anisotropy assay: The affinity of Example 1-33 for galectins were d... | - |
Data from ChEMBL 36 via Core Engine