Compound Detail
CHEMBL4212624
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Basic Information
| ChEMBL ID | CHEMBL4212624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLFQGGGGFNSJKA-JSUROZADSA-N |
| Parent Compound | CHEMBL252744 |
| Active Moiety | CHEMBL252744 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
306.2
MW (Da)
5.18
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.81
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Marburgvirus CHEMBL4296577 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
| Ebolavirus CHEMBL4434621 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Vesicular stomatitis virus CHEMBL613739 | EC50 | 4.54 | 4.54 | 28600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Marburgvirus | EC50 | = | 900.0 | nM | 6.05 | Antiviral activity against HIV1 pseudotyped MARV infected in HEK293T cells asses... | 29494844 |
| Ebolavirus | EC50 | = | 3000.0 | nM | 5.52 | Antiviral activity against HIV1 pseudotyped EBOV infected in HEK293T cells asses... | 29494844 |
| Vesicular stomatitis virus | EC50 | = | 28600.0 | nM | 4.54 | Antiviral activity against HIV1 pseudotyped VSV infected in HEK293T cells assess... | 29494844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Marburgvirus | 2 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Ebolavirus | 2 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Unchecked | 2 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Vesicular stomatitis virus | 1 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine