Compound Detail
CHEMBL1927055
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Basic Information
| ChEMBL ID | CHEMBL1927055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAKYEPHDEMXACF-HNQUOIGGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.2
MW (Da)
5.57
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus A1B CHEMBL613713 | IC50 | 5.01 | 5.01 | 9730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus A1B | IC50 | = | 9730.0 | nM | 5.01 | Antiviral activity against Human rhinovirus 1B infected in human HeLa cells asse... | 22088306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22088306 | 10.1016/j.bmc.2011.10.060 | HeLa | 2 |
| 22088306 | 10.1016/j.bmc.2011.10.060 | rhinovirus A1B | 1 |
| 22088306 | 10.1016/j.bmc.2011.10.060 | ADMET | 1 |
| 22088306 | 10.1016/j.bmc.2011.10.060 | rhinovirus B14 | 1 |
Data from ChEMBL 36 via Core Engine