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Compound Detail

CHEMBL242903

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CC(=O)NCCNc1nc2c(C)cc(C)cc2n1Cc1nc(C)ccc1O

Basic Information

ChEMBL ID CHEMBL242903
Phase Preclinical
Structure Type MOL
InChI Key ZKWZZEKOUDBPJP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
2.66
ALogP
6
HBA
3
HBD
92.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N5O2
MW 367.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.05

Activity Summary

EC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 5.3 5.3 5011.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 5011.87 nM 5.3 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

Data from ChEMBL 36 via Core Engine