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Compound Detail

CHEMBL242670

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CNS(=O)(=O)CCCN1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242670
Phase Preclinical
Structure Type MOL
InChI Key OZYATASYNVALTG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
2.62
ALogP
8
HBA
3
HBD
112.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N6O3S
MW 486.64
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.31

Activity Summary

EC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 7.3 7.3 50.1 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 32.0 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 50.12 nM 7.3 Antiviral activity against RSV in HeLaM cells 17722899

Literature References

PubMed DOI Target Context # Activities
17722899 10.1021/jm070143x Respiratory syncytial virus 1
17722899 10.1021/jm070143x ADMET 1
17722899 10.1021/jm070143x Lung 1

Data from ChEMBL 36 via Core Engine