Compound Detail
CHEMBL3596409
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OC[C@H]1O[C@H](OC(COc2ccc3ccccc3c2)COc2ccc3ccccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3596409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCZAKMGKDSJMNU-PNHLWVRCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
2.64
ALogP
8
HBA
4
HBD
117.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CD209 antigen CHEMBL1795114 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CD209 antigen | IC50 | = | 34000.0 | nM | 4.47 | Antagonist activity at DC-SIGN-CRD (unknown origin) by competitive binding assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00093E | CD209 antigen | 1 |
| - | 10.1039/C4MD00093E | Type 1 fimbrin D-mannose specific adhesin | 1 |
| - | 10.1039/C4MD00093E | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine