Compound Detail
CHEMBL1852155
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C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL1852155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRJIECKMPIRMJJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
581.8
MW (Da)
4.84
ALogP
5
HBA
0
HBD
78.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T-cell surface glycoprotein CD4 CHEMBL2754 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Sortilin CHEMBL3091 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T-cell surface glycoprotein CD4 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of FITC-tagged human CD4 expressed in human SUP-T1 cells after 72 hrs... | 32209293 |
| Sortilin | IC50 | = | 380.0 | nM | 6.42 | Inhibition of GFP-tagged Sortilin (unknown origin) expressed in HEK293T cells af... | 32209293 |
| Unchecked | IC50 | = | 398.11 | nM | 6.4 | Binding affinity to human CD4 signal peptide expressed in CHO cells assessed as ... | 26974263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26974263 | 10.1021/acs.jmedchem.5b01832 | Unchecked | 1 |
| 32209293 | 10.1016/j.bmcl.2020.127115 | Sortilin | 1 |
| 32209293 | 10.1016/j.bmcl.2020.127115 | T-cell surface glycoprotein CD4 | 1 |
Data from ChEMBL 36 via Core Engine