Compound Detail
CHEMBL4215735
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Basic Information
| ChEMBL ID | CHEMBL4215735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCMYMZDKVKNPAZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
10
PK Parameters
6
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.72
ALogP
6
HBA
1
HBD
90.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.43 | 8.43 | 3.7 | 1 |
| rhinovirus A21 CHEMBL612371 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 7.18 | 7.18 | 66.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 31300.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 31800.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 17400.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 17400.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 2.633 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 11067.28 | nM | Rattus norvegicus |
| F | 27.8 | % | Rattus norvegicus |
| T1/2 | 4.6 | hr | Rattus norvegicus |
| T1/2 | 3.2 | hr | Rattus norvegicus |
| Tmax | 2.7 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3.7 | nM | 8.43 | Antiviral activity against Human rhinovirus A71 infected in human H1HeLa cells a... | 30034598 |
| rhinovirus A21 | EC50 | = | 22.0 | nM | 7.66 | Antiviral activity against Human rhinovirus A21 infected in human H1HeLa cells a... | 30034598 |
| rhinovirus B14 | EC50 | = | 66.0 | nM | 7.18 | Antiviral activity against Human rhinovirus B14 infected in human H1HeLa cells a... | 30034598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30034598 | 10.1021/acsmedchemlett.8b00134 | Rattus norvegicus | 11 |
| 30034598 | 10.1021/acsmedchemlett.8b00134 | ADMET | 2 |
| 30034598 | 10.1021/acsmedchemlett.8b00134 | H1-HeLa | 1 |
| 30034598 | 10.1021/acsmedchemlett.8b00134 | rhinovirus B14 | 1 |
| 30034598 | 10.1021/acsmedchemlett.8b00134 | rhinovirus A21 | 1 |
| 30034598 | 10.1021/acsmedchemlett.8b00134 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine