Compound Detail
CHEMBL4084475
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Basic Information
| ChEMBL ID | CHEMBL4084475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHHSCJYVKCTHGJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.5
MW (Da)
2.91
ALogP
3
HBA
0
HBD
9.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ebolavirus CHEMBL4434621 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.17 | 5.17 | 6830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ebolavirus | IC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against Ebolavirus Mayinga infected in African green monkey V... | 29624387 |
| Unchecked | IC50 | = | 6830.0 | nM | 5.17 | Inhibition of Ebolavirus glycoprotein/matrix protein VP40 entry in human HeLa ce... | 29624387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29624387 | 10.1021/acs.jmedchem.8b00035 | Unchecked | 4 |
| 29624387 | 10.1021/acs.jmedchem.8b00035 | NPC intracellular cholesterol transporter 1 | 1 |
| 29624387 | 10.1021/acs.jmedchem.8b00035 | Ebolavirus | 1 |
| 29624387 | 10.1021/acs.jmedchem.8b00035 | Fibroblast | 1 |
Data from ChEMBL 36 via Core Engine