Compound Detail
CHEMBL5862405
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[O-][S+](c1ccc(Cl)c(Cl)c1)[C@H]1OC(CO)[C@H](O)C(n2cc(-c3c(F)c(F)c(F)c(F)c3F)nn2)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5862405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJEIXTICQWBBFJ-JCJRYQDPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
574.3
MW (Da)
2.74
ALogP
8
HBA
3
HBD
123.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galectin-3 CHEMBL4531 | Kd | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galectin-3 | Kd | = | 2.0 | nM | 8.7 | Fluorescence Anisotropy Assay: The assay was adapted to be able to measure the h... | - |
Data from ChEMBL 36 via Core Engine