Compound Detail
CHEMBL398328
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Basic Information
| ChEMBL ID | CHEMBL398328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCCIGFPBADVTFE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
2.28
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.42
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase S CHEMBL2396508 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.42 | 4.42 | 38500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase S | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nit... | 26602279 |
| Hepatitis C virus | EC50 | = | 38500.0 | nM | 4.42 | Antiviral activity against HCV JFH-1 J399EM infected in Human Huh7.5.1 cells ass... | 22445328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26602279 | 10.1016/j.bmcl.2015.11.026 | Receptor-type tyrosine-protein phosphatase S | 2 |
| 17637507 | 10.1016/j.bmc.2007.06.025 | Serine/threonine-protein kinase pim-1 | 1 |
| 20692831 | 10.1016/j.bmcl.2010.07.068 | NON-PROTEIN TARGET | 1 |
| 22445328 | 10.1016/j.ejmech.2012.03.002 | Hepatitis C virus | 1 |
| 22445328 | 10.1016/j.ejmech.2012.03.002 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine