Compound Detail
CHEMBL1164646
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Basic Information
| ChEMBL ID | CHEMBL1164646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACTIIBJQPOTBDS-OUKQBFOZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
4.36
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus A1B CHEMBL613713 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| rhinovirus B14 CHEMBL613759 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.42 | 4.42 | 37900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus A1B | IC50 | = | 1100.0 | nM | 5.96 | Antiviral activity against HRV-1B infected in human HeLa cells assessed as inhib... | 20554208 |
| rhinovirus B14 | IC50 | = | 1600.0 | nM | 5.8 | Antiviral activity against HRV-14 infected in human HeLa cells assessed as inhib... | 20554208 |
| NON-PROTEIN TARGET | IC50 | = | 37900.0 | nM | 4.42 | Antiviral activity against MNV1 CW1 infected in mouse RAW264.7 cells assessed as... | 20554208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20554208 | 10.1016/j.bmc.2010.05.006 | RAW264.7 | 3 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | NON-PROTEIN TARGET | 1 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | Unchecked | 1 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | rhinovirus A1B | 1 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | rhinovirus B14 | 1 |
Data from ChEMBL 36 via Core Engine