Compound Detail
CHEMBL3608439
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[N-]=[N+]=N[C@]1(CO)O[C@@H](c2ccc3c(N)nc(F)nn23)[C@H](F)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3608439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKYUZMCWFISYGU-CIOUSYIGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.2
MW (Da)
0.22
ALogP
8
HBA
3
HBD
154.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human orthopneumovirus CHEMBL613127 | EC50 | 6.24 | 6.24 | 570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human orthopneumovirus | EC50 | = | 570.0 | nM | 6.24 | Antiviral activity against Human respiratory syncytial virus | 26191357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26191357 | 10.1021/acsmedchemlett.5b00233 | MT4 | 1 |
| 26191357 | 10.1021/acsmedchemlett.5b00233 | ADMET | 1 |
| 26191357 | 10.1021/acsmedchemlett.5b00233 | Human orthopneumovirus | 1 |
Data from ChEMBL 36 via Core Engine