Compound Detail
CHEMBL4289617
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
NS(=O)(=O)c1ccc(CCCC2Nc3ccc(C(=O)N4CCN(c5ccncc5)CC4)cc3NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL4289617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEEPDCSUWZPGPP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
2.45
ALogP
7
HBA
3
HBD
137.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-type lectin domain family 4 member M CHEMBL2176858 | IC50 | 6.52 | 6.5133 | 300.0 | 3 |
| CD209 antigen CHEMBL1795114 | IC50 | 6.51 | 6.51 | 310.0 | 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 | = | 300.0 | nM | 6.52 | Inhibition of DC-SIGN (unknown origin) by high-throughput ELLA-type assay | 35024612 |
| CD209 antigen | IC50 | = | 310.0 | nM | 6.51 | Inhibition of DC-SIGN (unknown origin) after 1 hr by fluorescence analysis | 30297120 |
| C-type lectin domain family 4 member M | IC50 | = | 310.0 | nM | 6.51 | Inhibition of DC-SIGN (unknown origin) | 34998058 |
| C-type lectin domain family 4 member M | IC50 | = | 310.0 | nM | 6.51 | Inhibition of DC-SIGN extracellular domain (unknown origin) expressed in Escheri... | 34146913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35024612 | 10.1039/D1MD00238D | C-type lectin domain family 4 member M | 3 |
| 30297120 | 10.1016/j.bmc.2018.09.024 | CD209 antigen | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | C-type lectin domain family 4 member M | 1 |
| 34146913 | 10.1016/j.ejmech.2021.113561 | C-type lectin domain family 4 member M | 1 |
Data from ChEMBL 36 via Core Engine