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Compound Detail

CHEMBL564462

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CC(C)CCn1c(CN2C(=O)/C(=N/O)c3ccccc32)nc2ccccc21

Basic Information

ChEMBL ID CHEMBL564462
Phase Preclinical
Structure Type MOL
InChI Key IDJRBWPBEQDZME-BSYVCWPDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
3.81
ALogP
5
HBA
1
HBD
70.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4O2
MW 362.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.39

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 8.0 8.0 10.0 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