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Compound Detail

CHEMBL557521

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COCCCn1c(CN2C(=O)/C(=N/OCCCC#N)c3ccccc32)nc2ccccc21

Basic Information

ChEMBL ID CHEMBL557521
Phase Preclinical
Structure Type MOL
InChI Key QFCUGULEJXCAPK-SLEBQGDGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.64
ALogP
7
HBA
0
HBD
92.7
PSA (Ų)
0.36
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 C24H25N5O3
MW 431.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.56

Activity Summary

EC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 7.1 7.1 79.0 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