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Compound Detail

CHEMBL3417250

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Nc1ccn([C@@H]2O[C@@](CO)(C3CC3)[C@@H](O)[C@H]2F)c(=O)n1

Basic Information

ChEMBL ID CHEMBL3417250
Phase Preclinical
Structure Type MOL
InChI Key FKOFMSUNXFWZLQ-KLBPJQLPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
-0.81
ALogP
7
HBA
3
HBD
110.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16FN3O4
MW 285.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.27

Activity Summary

EC50 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 6.25 6.25 560.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25667954 10.1021/jm5017279 Respiratory syncytial virus 1
25667954 10.1021/jm5017279 HeLa 1

Data from ChEMBL 36 via Core Engine