Compound Detail
CHEMBL4645981
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Basic Information
| ChEMBL ID | CHEMBL4645981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWEFJRIMPYDTQK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
5.46
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.68
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.81 | 5.785 | 1560.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1560.0 | nM | 5.81 | Inhibition of pseudotyped HIV/EBOV GP infected in human A549 cells assessed as r... | 32490678 |
| Unchecked | EC50 | = | 1730.0 | nM | 5.76 | Inhibition of pseudotyped HIV/MARV GP infected in human A549 cells assessed as r... | 32490678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32490678 | 10.1021/acs.jmedchem.0c00463 | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine