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Compound Detail

CHEMBL3417241

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

Basic Information

ChEMBL ID CHEMBL3417241
Phase Preclinical
Structure Type MOL
InChI Key XCZBRCCIMOIZDI-IBCQBUCCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

259.2
MW (Da)
-1.20
ALogP
7
HBA
3
HBD
110.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14FN3O4
MW 259.24
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.25

Activity Summary

EC50 1 meas. best 5.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 5.67 5.67 2140.0 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