Compound Detail
CHEMBL5190646
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C=C1[C@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C(=O)Nc2c(Cl)cccc21
Basic Information
| ChEMBL ID | CHEMBL5190646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHYJYVBREIORJJ-RDAHTTFASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.0
MW (Da)
5.84
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chikungunya virus CHEMBL4296563 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chikungunya virus | EC50 | = | 2.0 | nM | 8.7 | 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