Compound Detail
CHEMBL4640656
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4640656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOGOYGDPWYKOBC-MHZLTWQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
5.52
ALogP
4
HBA
3
HBD
96.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 5.21 | 5.21 | 6200.0 | 1 |
| Genome polyprotein CHEMBL5980 | EC50 | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 6200.0 | nM | 5.21 | Functional CPE-based assay to measure dose dependent changes in antiviral-drug i... | - |
| Genome polyprotein | EC50 | = | 6900.0 | nM | 5.16 | Inhibition of Dengue virus serotype 2 NS2B-NS3 protease transfected in human HeL... | 32605372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32605372 | 10.1021/acs.jmedchem.0c00413 | Genome polyprotein | 6 |
| - | 10.6019/CHEMBL5606458 | Nonstructural protein 3 | 3 |
| - | 10.6019/CHEMBL5606460 | Genome polyprotein | 3 |
| - | 10.6019/CHEMBL5661955 | ADMET | 2 |
| 32605372 | 10.1021/acs.jmedchem.0c00413 | HeLa | 1 |
| 32605372 | 10.1021/acs.jmedchem.0c00413 | Trypsin | 1 |
| 32605372 | 10.1021/acs.jmedchem.0c00413 | Prothrombin | 1 |
| - | 10.6019/CHEMBL5604061 | NS3 | 1 |
| - | 10.6019/CHEMBL5661943 | dengue virus type 2 | 1 |
Data from ChEMBL 36 via Core Engine