Compound Detail
CHEMBL417662
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Basic Information
| ChEMBL ID | CHEMBL417662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLYAXKDVFDEGQS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
3.68
ALogP
7
HBA
1
HBD
89.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus A1B CHEMBL613713 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| rhinovirus B4 CHEMBL612524 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| rhinovirus A2 CHEMBL612678 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus A1B | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against rhinovirus type 1B | 2158561 |
| rhinovirus B4 | IC50 | = | 4500.0 | nM | 5.35 | Evaluated for inhibitory activity against rhinovirus type 4 | 2158561 |
| rhinovirus A2 | IC50 | = | 10500.0 | nM | 4.98 | Evaluated for inhibitory activity against rhinovirus type 2 | 2158561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2158561 | 10.1021/jm00167a012 | rhinovirus A1B | 1 |
| 2158561 | 10.1021/jm00167a012 | rhinovirus A2 | 1 |
| 2158561 | 10.1021/jm00167a012 | rhinovirus B4 | 1 |
Data from ChEMBL 36 via Core Engine