Compound Detail
CHEMBL4532633
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
CC(C)(C)C(=O)OCn1c(=O)c(C#Cc2ccc3c4cccc5cccc(c6cccc2c63)c54)cn(CC(=O)NCCCCO)c1=O
Basic Information
| ChEMBL ID | CHEMBL4532633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKUDOIRAAWUKPC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
629.7
MW (Da)
4.90
ALogP
8
HBA
2
HBD
119.6
PSA (Ų)
0.08
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tick-borne encephalitis virus CHEMBL4296604 | EC50 | 9.16 | 9.16 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tick-borne encephalitis virus | EC50 | = | 0.69 | nM | 9.16 | Antiviral activity against TBEV Absettarov infected in PEK cells assessed as pla... | 30909022 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30909022 | 10.1016/j.ejmech.2019.03.029 | Unchecked | 3 |
| 30909022 | 10.1016/j.ejmech.2019.03.029 | Vero | 3 |
| 30909022 | 10.1016/j.ejmech.2019.03.029 | RD | 3 |
| 30909022 | 10.1016/j.ejmech.2019.03.029 | Tick-borne encephalitis virus | 1 |
| 30909022 | 10.1016/j.ejmech.2019.03.029 | Enterovirus A71 | 1 |
| 30909022 | 10.1016/j.ejmech.2019.03.029 | No relevant target | 1 |
| 30909022 | 10.1016/j.ejmech.2019.03.029 | Poliovirus 1 | 1 |
| 30909022 | 10.1016/j.ejmech.2019.03.029 | Echovirus | 1 |
Data from ChEMBL 36 via Core Engine