Compound Detail
CHEMBL1503347
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Basic Information
| ChEMBL ID | CHEMBL1503347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPCUFXXVXPRLTI-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
516.7
MW (Da)
4.63
ALogP
6
HBA
2
HBD
73.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Kd 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-type lectin domain family 4 member M CHEMBL2176858 | IC50 | 5.8 | 5.7333 | 1600.0 | 3 |
| CD209 antigen CHEMBL1795114 | Kd | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-type lectin domain family 4 member M | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of fluorescent labeled mannosylated BSA probe to DC-SIGN (unknown ori... | 35024612 |
| C-type lectin domain family 4 member M | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of DC-SIGN (unknown origin) by high-throughput ELLA-type assay | 35024612 |
| C-type lectin domain family 4 member M | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of DC-SIGN extracellular domain (unknown origin) expressed in Escheri... | 34146913 |
| CD209 antigen | Kd | = | 2000.0 | nM | 5.7 | Binding affinity to human DC-SIGN ECD expressed in Escherichia coli BL21(DE3) af... | 30295487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35024612 | 10.1039/D1MD00238D | C-type lectin domain family 4 member M | 2 |
| 30295487 | 10.1021/acs.jmedchem.8b01210 | CD209 antigen | 1 |
| 34146913 | 10.1016/j.ejmech.2021.113561 | C-type lectin domain family 4 member M | 1 |
Data from ChEMBL 36 via Core Engine