Compound Detail
CHEMBL5950915
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N#Cc1ncc(Br)cc1S[C@H]1OC(CO)[C@H](O)[C@H](n2cc(-c3csc(O)n3)nn2)C1O
Basic Information
| ChEMBL ID | CHEMBL5950915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMKYSPPFUVMAFM-UKTBERIZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
527.4
MW (Da)
0.91
ALogP
13
HBA
4
HBD
170.4
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galectin-1 CHEMBL4915 | Kd | 7.48 | 7.48 | 33.0 | 1 |
| Galectin-3 CHEMBL4531 | Kd | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galectin-1 | Kd | = | 33.0 | nM | 7.48 | fluorescence anisotropy assay: The affinity of Example 1-33 for galectins were d... | - |
| Galectin-3 | Kd | = | 2600.0 | nM | 5.58 | fluorescence anisotropy assay: The affinity of Example 1-33 for galectins were d... | - |
Data from ChEMBL 36 via Core Engine