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Compound Detail

CHEMBL484955

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

Basic Information

ChEMBL ID CHEMBL484955
Phase Preclinical
Structure Type MOL
InChI Key UXJYMPRXLVIVCK-ATRFCDNQSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

304.2
MW (Da)
-0.65
ALogP
8
HBA
3
HBD
159.4
PSA (Ų)
0.38
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 C9H10F2N6O4
MW 304.21
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.77

Activity Summary

EC50 2 meas. best 7.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
EC50 7.18 7.18 66.0 1
Respiratory syncytial virus
CHEMBL612679
EC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19341305 10.1021/jm801595c ADMET 2
19341305 10.1021/jm801595c Hepatitis C virus 1
25667954 10.1021/jm5017279 HeLa 1
25667954 10.1021/jm5017279 Respiratory syncytial virus 1

Data from ChEMBL 36 via Core Engine