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Compound Detail

CHEMBL3417267

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

Basic Information

ChEMBL ID CHEMBL3417267
Phase Preclinical
Structure Type MOL
InChI Key NEHUCLGOHOWDEO-FBKDDSFISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.8
MW (Da)
0.23
ALogP
8
HBA
2
HBD
116.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19ClFN3O5
MW 363.77
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.26

Activity Summary

EC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 6.8 6.8 160.0 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