Compound Detail
CHEMBL5561558
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Basic Information
| ChEMBL ID | CHEMBL5561558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDNLJOYWAJIUHZ-PRZWDFDDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
897.8
MW (Da)
-10.59
ALogP
27
HBA
16
HBD
464.7
PSA (Ų)
0.03
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CD209 antigen CHEMBL1795114 | Kd | 4.89 | 4.89 | 12800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CD209 antigen | Kd | = | 12800.0 | nM | 4.89 | Binding affinity to human DC-SIGN CRD (264 to 399 residues) expressed in Escheri... | 38364308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38364308 | 10.1021/acs.jmedchem.4c00116 | CD209 antigen | 1 |
| 38364308 | 10.1021/acs.jmedchem.4c00116 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine