Compound Detail
CHEMBL5185808
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Basic Information
| ChEMBL ID | CHEMBL5185808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUBUVKSCWGSYGZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.76
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5980 | IC50 | 5.18 | 5.18 | 6660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 6660.0 | nM | 5.18 | Inhibition of DENV2 NS2B-NS3 protease using Bz-Nle-Lys-Arg-Arg-AMC as substrate ... | 35816877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35816877 | 10.1016/j.ejmech.2022.114576 | Genome polyprotein | 2 |
Data from ChEMBL 36 via Core Engine