Compound Detail
CHEMBL4648334
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Basic Information
| ChEMBL ID | CHEMBL4648334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYJBBZRSJADILJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.71
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.28 | 5.645 | 530.0 | 2 |
| Zaire ebolavirus CHEMBL4513181 | EC50 | 5.55 | 5.55 | 2830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 530.0 | nM | 6.28 | Inhibition of pseudotyped HIV/MARV GP infected in human A549 cells assessed as r... | 32490678 |
| Zaire ebolavirus | EC50 | = | 2830.0 | nM | 5.55 | Antiviral activity against Ebola virus 1976 Mayinga infected in African green mo... | 32490678 |
| Unchecked | EC50 | = | 9860.0 | nM | 5.01 | Inhibition of pseudotyped HIV/EBOV GP infected in human A549 cells assessed as r... | 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 | 3 |
| 32490678 | 10.1021/acs.jmedchem.0c00463 | Marburgvirus | 2 |
| 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