Compound Detail
CHEMBL5395997
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Basic Information
| ChEMBL ID | CHEMBL5395997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYHHFKCGHIWIKH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
2.49
ALogP
4
HBA
1
HBD
38.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ebolavirus CHEMBL4434621 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ebolavirus | EC50 | = | 270.0 | nM | 6.57 | Antiviral activity against pseudotyped Ebola virus infected in HeLa cells preinc... | 37021830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37021830 | 10.1021/acs.jmedchem.2c01785 | Ebolavirus | 1 |
| 37021830 | 10.1021/acs.jmedchem.2c01785 | HeLa | 1 |
| 37021830 | 10.1021/acs.jmedchem.2c01785 | ADMET | 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