Compound Detail
CHEMBL1354394
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 | CHEMBL1354394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEEGWCAEVFYZNJ-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
325.2
MW (Da)
3.33
ALogP
6
HBA
1
HBD
98.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.3
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | IC50 | 5.3 | 5.3 | 4950.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 5.14 | 5.14 | 7180.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | IC50 | 4.81 | 4.81 | 15600.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.81 | 4.81 | 15497.0 | 1 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 4.71 | 4.71 | 19700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein | IC50 | = | 4950.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ant... | - |
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 7180.0 | nM | 5.14 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
| HEK293 | EC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | IC50 | = | 15600.0 | nM | 4.81 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD2 revised. (Class of... | - |
| HEK293 | IC50 | = | 15497.0 | nM | 4.81 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Tumor necrosis factor | IC50 | = | 19700.0 | nM | 4.71 | PUBCHEM_BIOASSAY: SAR analysis of inhibitors of TNFa specific NF-kB induction re... | - |
Data from ChEMBL 36 via Core Engine