Compound Detail
CHEMBL3343176
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
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1
Basic Information
| ChEMBL ID | CHEMBL3343176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMYSOCMRGSKFMH-OEAKJJBVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
6.25
ALogP
8
HBA
1
HBD
107.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3308998 | IC50 | 5.54 | 5.54 | 2860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 2860.0 | nM | 5.54 | Inhibition of Dengue virus 2 NS2B/NS3 protease using Bz-Nle-Lys-Arg-Arg-AMC as s... | 25438757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25438757 | 10.1016/j.bmc.2014.09.057 | Genome polyprotein | 2 |
Data from ChEMBL 36 via Core Engine