Compound Detail
CHEMBL5172591
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COc1ccc(-n2c3c/c(=N\C4CCC(OC)CC4)c(Nc4ccc(F)cc4)cc-3nc3ccccc32)cn1
Basic Information
| ChEMBL ID | CHEMBL5172591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDOLTSJROSPIKO-ROMHNNFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
6.27
ALogP
7
HBA
1
HBD
73.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lyssavirus rabies CHEMBL4513192 | EC50 | 5.59 | 5.59 | 2550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lyssavirus rabies | EC50 | = | 2550.0 | nM | 5.59 | Antirabies activity against rabies CVS infected in golden hamster BSR cells prei... | 35279610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35279610 | 10.1016/j.ejmech.2022.114209 | ADMET | 2 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | Unchecked | 1 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | Lyssavirus rabies | 1 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | Huh-7 | 1 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine