Compound Detail
CHEMBL1488993
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
Basic Information
| ChEMBL ID | CHEMBL1488993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHYRBJPJWNQOPR-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
287.8
MW (Da)
3.35
ALogP
4
HBA
1
HBD
53.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.07
EC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Interleukin-8 CHEMBL2157 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 4.9 | 4.9 | 12710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 4000.0 | nM | 5.4 | Antiviral activity against cell culture derived Hepatitis C virus expressing NS5... | 24675178 |
| Interleukin-8 | IC50 | = | 8600.0 | nM | 5.07 | PUBCHEM_BIOASSAY: SAR analysis of GM-Tri-DAP induced IL-8 secretion in MCF-7/NOD... | - |
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 12710.0 | nM | 4.9 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24675178 | 10.1016/j.ejmech.2014.03.030 | Hepatitis C virus | 1 |
| 24675178 | 10.1016/j.ejmech.2014.03.030 | ADMET | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine