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Compound Detail

CHEMBL3417251

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CSC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL3417251
Phase Preclinical
Structure Type MOL
InChI Key FYDCSHFQHOCTPU-LOKLDPHHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
-0.85
ALogP
8
HBA
3
HBD
110.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16FN3O4S
MW 305.33
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.85

Activity Summary

EC50 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 6.29 6.29 510.0 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