Compound Detail
CHEMBL553101
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Basic Information
| ChEMBL ID | CHEMBL553101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYLACDDMFKMEOP-UVTDQMKNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
3.71
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus A1B CHEMBL613713 | IC50 | 5.18 | 5.18 | 6620.0 | 1 |
| rhinovirus B14 CHEMBL613759 | IC50 | 4.67 | 4.67 | 21590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus A1B | IC50 | = | 6620.0 | nM | 5.18 | Antiviral activity against HRV 1B infected in human HeLa Ohio cells assessed as ... | 19398344 |
| rhinovirus B14 | IC50 | = | 21590.0 | nM | 4.67 | Antiviral activity against HRV 14 infected in human HeLa Ohio cells assessed as ... | 19398344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19398344 | 10.1016/j.bmc.2009.03.051 | ADMET | 3 |
| 19398344 | 10.1016/j.bmc.2009.03.051 | rhinovirus A1B | 1 |
| 19398344 | 10.1016/j.bmc.2009.03.051 | rhinovirus B14 | 1 |
Data from ChEMBL 36 via Core Engine