Compound Detail
CHEMBL1727981
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 | CHEMBL1727981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGCWJBIGWQYBJP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.7
MW (Da)
4.36
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 6.16 | 6.16 | 692.0 | 1 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.39 | 5.39 | 4040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 692.0 | nM | 6.16 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
| Tumor necrosis factor | IC50 | = | 870.0 | nM | 6.06 | PUBCHEM_BIOASSAY: SAR analysis of inhibitors of TNFa specific NF-kB induction re... | - |
| HEK293 | IC50 | = | 4040.0 | nM | 5.39 | PUBCHEM_BIOASSAY: SAR analysis of compounds that are cytotoxic to HEK293 revised... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 722724 | 10.1021/jm00209a020 | Rodentolepis nana | 1 |
Data from ChEMBL 36 via Core Engine