Compound Detail
CHEMBL29437
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Basic Information
| ChEMBL ID | CHEMBL29437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANEUEMUTNSWTJU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
335.8
MW (Da)
4.27
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus A1B CHEMBL613713 | IC50 | 5.78 | 5.78 | 1650.0 | 1 |
| rhinovirus A2 CHEMBL612678 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
| rhinovirus B4 CHEMBL612524 | IC50 | 4.85 | 4.85 | 14200.0 | 1 |
| rhinovirus B5 CHEMBL612467 | IC50 | 4.79 | 4.79 | 16300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus A1B | IC50 | = | 1650.0 | nM | 5.78 | Inhibitory activity against rhinovirus type 1B | 2158561 |
| rhinovirus A2 | IC50 | = | 8300.0 | nM | 5.08 | Evaluated for inhibitory activity against rhinovirus type 2 | 2158561 |
| rhinovirus B4 | IC50 | = | 14200.0 | nM | 4.85 | Evaluated for inhibitory activity against rhinovirus type 4 | 2158561 |
| rhinovirus B5 | IC50 | = | 16300.0 | nM | 4.79 | Evaluated for inhibitory activity against rhinovirus type 5 | 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 |
| 2158561 | 10.1021/jm00167a012 | rhinovirus B5 | 1 |
Data from ChEMBL 36 via Core Engine