Compound Detail
CHEMBL4645123
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Basic Information
| ChEMBL ID | CHEMBL4645123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMUBHOXKLMHJFI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
4.89
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.84 | 5.81 | 1460.0 | 2 |
| Zaire ebolavirus CHEMBL4513181 | EC50 | 5.49 | 5.49 | 3220.0 | 1 |
| Marburgvirus CHEMBL4296577 | EC50 | 5.09 | 5.09 | 8170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1460.0 | nM | 5.84 | Inhibition of pseudotyped HIV/MARV GP infected in human A549 cells assessed as r... | 32490678 |
| Unchecked | EC50 | = | 1680.0 | nM | 5.78 | Inhibition of pseudotyped HIV/EBOV GP infected in human A549 cells assessed as r... | 32490678 |
| Zaire ebolavirus | EC50 | = | 3220.0 | nM | 5.49 | Antiviral activity against Ebola virus 1976 Mayinga infected in human HeLa cells... | 32490678 |
| Marburgvirus | EC50 | = | 8170.0 | nM | 5.09 | Antiviral activity against Marburg virus Lake Victoria, 2005 Angola infected in ... | 32490678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32490678 | 10.1021/acs.jmedchem.0c00463 | Unchecked | 7 |
| 32490678 | 10.1021/acs.jmedchem.0c00463 | ADMET | 4 |
| 32490678 | 10.1021/acs.jmedchem.0c00463 | Zaire ebolavirus | 1 |
| 32490678 | 10.1021/acs.jmedchem.0c00463 | Marburgvirus | 1 |
| 32490678 | 10.1021/acs.jmedchem.0c00463 | Cytochrome P450 3A4 | 1 |
| 32490678 | 10.1021/acs.jmedchem.0c00463 | Cytochrome P450 2C9 | 1 |
Data from ChEMBL 36 via Core Engine