Compound Detail
CHEMBL4217780
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Basic Information
| ChEMBL ID | CHEMBL4217780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRYIHSDPZNUQNW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
5.15
ALogP
5
HBA
3
HBD
83.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 7.02 | 7.02 | 96.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.6333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 96.0 | nM | 7.02 | Antiviral activity against Dengue virus 2 Rega infected in African green monkey ... | 30149709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30149709 | 10.1021/acs.jmedchem.8b00913 | ADMET | 2 |
| 30149709 | 10.1021/acs.jmedchem.8b00913 | dengue virus type 2 | 1 |
| 30149709 | 10.1021/acs.jmedchem.8b00913 | Vero | 1 |
| 30149709 | 10.1021/acs.jmedchem.8b00913 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine