Compound Detail
CHEMBL4877767
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Basic Information
| ChEMBL ID | CHEMBL4877767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNCDHNYZSIVCDP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
4.75
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Envelope phospholipase OPG057 CHEMBL4296170 | IC50 | 5.31 | 5.31 | 4850.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.21 | 4.845 | 6170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Envelope phospholipase OPG057 | IC50 | = | 4850.0 | nM | 5.31 | Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey ... | 33965861 |
| Unchecked | IC50 | = | 6170.0 | nM | 5.21 | Inhibition of p37 in Ectromelia virus K1 infected in African green monkey Vero c... | 33965861 |
| Unchecked | IC50 | = | 32900.0 | nM | 4.48 | 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