Compound Detail
CHEMBL5209332
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Basic Information
| ChEMBL ID | CHEMBL5209332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHFPWDDJHAZZKV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
5.18
ALogP
6
HBA
0
HBD
53.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.64 | 4.64 | 22700.0 | 1 |
| Human coronavirus 229E CHEMBL613837 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 5900.0 | nM | 5.23 | Antiviral activity against SARS-CoV-2 infected in eGFP expressing African green ... | 35571875 |
| Unchecked | EC50 | = | 22700.0 | nM | 4.64 | Antiviral activity against HCoV-OC43 infected in HEL 299 cells assessed as reduc... | 35571875 |
| Human coronavirus 229E | EC50 | = | 40000.0 | nM | 4.4 | Antiviral activity against HCoV-229E infected in HEL 299 cells assessed as reduc... | 35571875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35571875 | 10.1021/acsmedchemlett.2c00123 | Replicase polyprotein 1ab | 4 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | ADMET | 3 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | Unchecked | 3 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | Vero C1008 | 2 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | HEL 299 | 1 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | SARS-CoV-2 | 1 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | Human coronavirus 229E | 1 |
Data from ChEMBL 36 via Core Engine