Compound Detail
CHEMBL266800
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Basic Information
| ChEMBL ID | CHEMBL266800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWZDYGHUSXWPPM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
3.55
ALogP
5
HBA
0
HBD
56.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poliovirus 2 CHEMBL613752 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| rhinovirus A2 CHEMBL612678 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poliovirus 2 | IC50 | = | 3.0 | nM | 8.52 | Antiviral activity against Human poliovirus 2 | 31226653 |
| rhinovirus A2 | IC50 | = | 100.0 | nM | 7.0 | Antiviral activity against Human rhinovirus A2 | 31226653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2913305 | 10.1021/jm00122a027 | Enterovirus | 19 |
| 7990117 | 10.1021/jm00050a014 | Human rhinovirus sp. | 18 |
| 3027340 | 10.1021/jm00385a021 | rhinovirus A2 | 4 |
| 2999407 | 10.1021/jm00150a025 | Mus musculus | 2 |
| 2158559 | 10.1021/jm00167a006 | rhinovirus B14 | 2 |
| 3027340 | 10.1021/jm00385a021 | rhinovirus A1B | 1 |
| 9457241 | 10.1021/jm970372r | Human rhinovirus sp. | 1 |
| 3027340 | 10.1021/jm00385a021 | rhinovirus A30 | 1 |
| 3027340 | 10.1021/jm00385a021 | rhinovirus A25 | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Poliovirus 2 | 1 |
| 3027340 | 10.1021/jm00385a021 | rhinovirus A21 | 1 |
| 3027340 | 10.1021/jm00385a021 | rhinovirus A15 | 1 |
| 3027340 | 10.1021/jm00385a021 | rhinovirus B14 | 1 |
| 3027340 | 10.1021/jm00385a021 | rhinovirus B6 | 1 |
| 2913305 | 10.1021/jm00122a027 | No relevant target | 1 |
| 3027340 | 10.1021/jm00385a021 | Human rhinovirus 1A | 1 |
| 3027340 | 10.1021/jm00385a021 | Human rhinovirus sp. | 1 |
| 1313108 | 10.1021/jm00084a005 | ADMET | 1 |
| 1313108 | 10.1021/jm00084a005 | No relevant target | 1 |
| 1313108 | 10.1021/jm00084a005 | rhinovirus B14 | 1 |
Data from ChEMBL 36 via Core Engine