Compound Detail
CHEMBL5179918
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Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2C[C@H]1C(=O)NC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5179918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAGYKUNXZHXKMR-PCGRRZAASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
567.8
MW (Da)
4.75
ALogP
6
HBA
4
HBD
101.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 3500.0 | nM | 5.46 | Antiviral activity against DENV2 | 34601454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34601454 | 10.1016/j.bmc.2021.116415 | dengue virus type 2 | 1 |
Data from ChEMBL 36 via Core Engine