Compound Detail
CHEMBL5181375
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
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/C(=O)Nc2c(F)cccc21
Basic Information
| ChEMBL ID | CHEMBL5181375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXTWLKVMTIZKEC-MWIKYDBZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
6.35
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chikungunya virus CHEMBL4296563 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chikungunya virus | EC50 | = | 20.0 | nM | 7.7 | Antiviral activity against CHIKV 122508 infected in human BHK-21 cells assessed ... | 35085859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35085859 | 10.1016/j.ejmech.2022.114110 | Chikungunya virus | 2 |
| 35085859 | 10.1016/j.ejmech.2022.114110 | Unchecked | 1 |
| 35085859 | 10.1016/j.ejmech.2022.114110 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine