Compound Detail
CHEMBL4303728
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Basic Information
| ChEMBL ID | CHEMBL4303728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAASQMCXDRISAV-CYBMUJFWSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.8
MW (Da)
4.12
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Ki 1 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 3 CHEMBL1075113 | Ki | 5.53 | 5.53 | 2960.0 | 1 |
| Toll-like receptor 3 CHEMBL1075113 | IC50 | 5.46 | 5.46 | 3440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 3 | Ki | = | 2960.0 | nM | 5.53 | Binding affinity to TLR3 (unknown origin) assessed as inhibition constant | 37163340 |
| Toll-like receptor 3 | IC50 | = | 3440.0 | nM | 5.46 | Antagonist activity at TLR3 (unknown origin) | 37163340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37163340 | 10.1021/acs.jmedchem.2c01655 | Toll-like receptor 3 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine