Compound Detail
CHEMBL4850454
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Basic Information
| ChEMBL ID | CHEMBL4850454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHXAPFLCZNRMNH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.68
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 5.66 | 1000.0 | 2 |
| Envelope phospholipase OPG057 CHEMBL4296170 | IC50 | 5.97 | 5.97 | 1070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of p37 in Ectromelia virus K1 infected in African green monkey Vero c... | 33965861 |
| Envelope phospholipase OPG057 | IC50 | = | 1070.0 | nM | 5.97 | Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey ... | 33965861 |
| Unchecked | IC50 | = | 4770.0 | nM | 5.32 | Inhibition of p37 in Cowpox virus Grishak infected in African green monkey Vero ... | 33965861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33965861 | 10.1016/j.ejmech.2021.113485 | ADMET | 3 |
| 33965861 | 10.1016/j.ejmech.2021.113485 | Unchecked | 2 |
| 33965861 | 10.1016/j.ejmech.2021.113485 | Vero | 1 |
| 33965861 | 10.1016/j.ejmech.2021.113485 | Envelope phospholipase OPG057 | 1 |
Data from ChEMBL 36 via Core Engine