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Compound Detail

CHEMBL2203633

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N#CCCCn1c(Cn2c(=O)[nH]c3cnccc32)nc2ccccc21

Basic Information

ChEMBL ID CHEMBL2203633
Phase Preclinical
Structure Type MOL
InChI Key RREHTUHPSLFSHU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.43
ALogP
6
HBA
1
HBD
92.3
PSA (Ų)
0.57
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 C18H16N6O
MW 332.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.66

Activity Summary

EC50 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 5.24 5.24 5700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 5700.0 nM 5.24 Antiviral activity against respiratory syncytial virus 21413808

Literature References

PubMed DOI Target Context # Activities
21413808 10.1021/jm1013693 Respiratory syncytial virus 1

Data from ChEMBL 36 via Core Engine