Compound Detail
CHEMBL1351908
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 | CHEMBL1351908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOXDTVCRUUKXMP-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
253.4
MW (Da)
5.09
ALogP
2
HBA
0
HBD
12.9
PSA (Ų)
0.62
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.32
EC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 6.32 | 5.905 | 477.8 | 2 |
| HEK293 CHEMBL614818 | EC50 | 5.33 | 5.33 | 4671.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.12 | 4.12 | 75600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 2 | EC50 | = | 20.0 | nM | 7.7 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 477.75 | nM | 6.32 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | IC50 | = | 3209.0 | nM | 5.49 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | EC50 | = | 4671.0 | nM | 5.33 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Protein skinhead-1 | IC50 | = | 75600.0 | nM | 4.12 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22047695 | 10.1016/j.bmcl.2011.10.034 | Staphylococcus aureus | 2 |
| 22047695 | 10.1016/j.bmcl.2011.10.034 | Bacillus cereus | 2 |
| 22047695 | 10.1016/j.bmcl.2011.10.034 | Shigella dysenteriae | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine