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Compound Detail

CHEMBL564878

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COCCCn1c(CN2C(=O)/C(=N/OCCCF)c3ccccc32)nc2ccccc21

Basic Information

ChEMBL ID CHEMBL564878
Phase Preclinical
Structure Type MOL
InChI Key CZLBEUKPIGRSAO-XTCLZLMSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
3.70
ALogP
6
HBA
0
HBD
69.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25FN4O3
MW 424.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.57

Activity Summary

EC50 1 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 6.9 6.9 125.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19596574 10.1016/j.bmcl.2009.06.030 Respiratory syncytial virus 1

Data from ChEMBL 36 via Core Engine