Compound Detail
CHEMBL1611733
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 | CHEMBL1611733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IONTWAIDPPMSMW-UHFFFAOYSA-N |
9
Targets
11
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
3.72
ALogP
6
HBA
2
HBD
97.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.68
EC50 5 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.67 | 5.67 | 2158.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.54 | 5.54 | 2883.0 | 1 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 5.5 | 5.5 | 3180.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.43 | 5.43 | 3680.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.2 | 5.2 | 6350.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.18 | 5.18 | 6654.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.16 | 5.16 | 6848.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 5.11 | 5.11 | 7830.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | IC50 | 5.09 | 5.09 | 8050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine