Compound Detail
CHEMBL19954
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Basic Information
| ChEMBL ID | CHEMBL19954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKRMCDAOAQWNTG-UHFFFAOYSA-N |
14
Targets
34
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
4.49
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 21 meas. best 6.96
EC50 12 meas. best 6.16
Kd 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 3 CHEMBL1075113 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Influenza A virus CHEMBL613740 | IC50 | 6.85 | 6.6433 | 140.0 | 3 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.52 | 6.285 | 300.0 | 4 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.16 | 5.772 | 698.0 | 5 |
| Unchecked CHEMBL612545 | IC50 | 6.05 | 4.8 | 890.0 | 9 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.84 | 5.84 | 1439.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.73 | 5.73 | 1867.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.6 | 5.6 | 2524.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.44 | 5.26 | 3648.0 | 3 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.28 | 5.28 | 5280.0 | 1 |
| quadruplex DNA CHEMBL3832742 | Kd | 5.07 | 5.07 | 8500.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.05 | 5.05 | 8858.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine