Compound Detail
CHEMBL5398314
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Basic Information
| ChEMBL ID | CHEMBL5398314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJMIYPOMQDWUPR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
5.15
ALogP
4
HBA
2
HBD
49.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ebolavirus CHEMBL4434621 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
| Zaire ebolavirus CHEMBL4513181 | EC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ebolavirus | EC50 | = | 160.0 | nM | 6.8 | Antiviral activity against pseudotyped Ebola virus infected in HeLa cells preinc... | 37021830 |
| Zaire ebolavirus | EC50 | = | 520.0 | nM | 6.28 | Antiviral activity against wild type Zaire EBOV Mayinga infected in Vero E6 cell... | 37021830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37021830 | 10.1021/acs.jmedchem.2c01785 | ADMET | 2 |
| 37021830 | 10.1021/acs.jmedchem.2c01785 | Ebolavirus | 1 |
| 37021830 | 10.1021/acs.jmedchem.2c01785 | HeLa | 1 |
| 37021830 | 10.1021/acs.jmedchem.2c01785 | Zaire ebolavirus | 1 |
| 37021830 | 10.1021/acs.jmedchem.2c01785 | Vero C1008 | 1 |
Data from ChEMBL 36 via Core Engine