Compound Detail
CHEMBL1164746
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Basic Information
| ChEMBL ID | CHEMBL1164746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJMJHCQXIRINSY-JXMROGBWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
282.7
MW (Da)
4.62
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus B14 CHEMBL613759 | IC50 | 5.21 | 5.21 | 6190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus B14 | IC50 | = | 6190.0 | nM | 5.21 | Antiviral activity against HRV-14 infected in human HeLa cells assessed as inhib... | 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 | 2 |
| - | 10.1007/s00044-012-0232-6 | NON-PROTEIN TARGET | 2 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | rhinovirus A1B | 1 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | rhinovirus B14 | 1 |
| - | 10.1007/s00044-012-0232-6 | OVCAR | 1 |
| - | 10.1007/s00044-012-0232-6 | HeLa | 1 |
| - | 10.1007/s00044-012-0232-6 | AGS | 1 |
Data from ChEMBL 36 via Core Engine