Compound Detail
CHEMBL4218037
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Cc1ccc(S(=O)(=O)Oc2ccc3c(CSc4nc5ccccc5c(=O)[nH]4)cc(=O)oc3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4218037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHDFKBMZVOVVMB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
4.40
ALogP
8
HBA
1
HBD
119.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chikungunya virus CHEMBL4296563 | EC50 | 4.99 | 4.99 | 10200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chikungunya virus | EC50 | = | 10200.0 | nM | 4.99 | Antiviral activity against Chikungunya virus 899 infected in African green monke... | 28689975 |
| Chikungunya virus | EC50 | = | 10200.0 | nM | 4.99 | Antiviral activity against CHIKV | 30496988 |
| Chikungunya virus | EC50 | = | 10200.0 | nM | 4.99 | Antiviral activity against CHIKV | 27484512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28689975 | 10.1016/j.bmc.2017.06.049 | Vero | 1 |
| 28689975 | 10.1016/j.bmc.2017.06.049 | Unchecked | 1 |
| 28689975 | 10.1016/j.bmc.2017.06.049 | Chikungunya virus | 1 |
| 30496988 | 10.1016/j.ejmech.2018.11.017 | Chikungunya virus | 1 |
| 27484512 | 10.1016/j.ejmech.2016.07.056 | Chikungunya virus | 1 |
Data from ChEMBL 36 via Core Engine