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Compound Detail

CHEMBL473689

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Nc1nc(NCC(F)(F)F)c2ncn(CCOCP(=O)(O)O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473689
Phase Preclinical
Structure Type MOL
InChI Key VFOXDAHCGDXOMK-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.2
MW (Da)
0.53
ALogP
8
HBA
4
HBD
148.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14F3N6O4P
MW 370.23
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.15

Activity Summary

IC50 2 meas. best 4.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vaccinia virus
CHEMBL613493
 IC50 4.38 4.38 42000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vaccinia virus IC50 = 42000.0 nM 4.38 Antiviral activity against Vaccinia virus 19112024

Literature References

PubMed DOI Target Context # Activities
19112024 10.1016/j.bmc.2008.11.075 Vaccinia virus 1
19112024 10.1016/j.bmc.2008.11.075 Cowpox virus 1

Data from ChEMBL 36 via Core Engine