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Compound Detail

CHEMBL559943

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COCCCn1c(CN2C(=O)/C(=N/OC(CC(O)O)C(O)O)c3ccccc32)nc2ccccc21

Basic Information

ChEMBL ID CHEMBL559943
Phase Preclinical
Structure Type MOL
InChI Key FKHVWOKDTXHMLX-XTCLZLMSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.5
MW (Da)
0.72
ALogP
10
HBA
4
HBD
149.9
PSA (Ų)
0.18
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N4O7
MW 484.51
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.06

Activity Summary

EC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 7.72 7.72 19.0 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