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Compound Detail

CHEMBL242885

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Cc1ccc(O)c(Cn2c(NC3CCN(CC(O)CN(C)C)CC3)nc3c(C)cccc32)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242885
Phase Preclinical
Structure Type MOL
InChI Key VEAIXSURJBHRBU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

452.6
MW (Da)
2.60
ALogP
8
HBA
3
HBD
89.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36N6O2
MW 452.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.16

Activity Summary

EC50 1 meas. best 8.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 8.5 8.5 3.2 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 556.0 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 3.162 nM 8.5 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