Compound Detail
CHEMBL5417633
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O=C(O)c1ccc(S(=O)(=O)NC(=O)c2cc3cc(Oc4ccc(Cl)c(Cl)c4)ccc3[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL5417633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYGZEUABDPNPLO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
505.3
MW (Da)
5.08
ALogP
5
HBA
3
HBD
125.6
PSA (Ų)
0.34
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galectin-8 CHEMBL5475 | Kd | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galectin-8 | Kd | = | 73000.0 | nM | 4.14 | Binding affinity to C-terminal domain human Gal-8 expressed in Escherichia coli ... | 37736168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37736168 | 10.1021/acsmedchemlett.3c00261 | Galectin-3 | 1 |
| 37736168 | 10.1021/acsmedchemlett.3c00261 | Galectin-8 | 1 |
Data from ChEMBL 36 via Core Engine