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Compound Detail

CHEMBL246831

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CC(C)CCn1c(Cn2c(=O)n(CC(=O)O)c3ccccc32)nc2cc(C(=N)N)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246831
Phase Preclinical
Structure Type MOL
InChI Key MYTGEFQLNGMMEZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
2.62
ALogP
7
HBA
3
HBD
131.9
PSA (Ų)
0.29
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 C23H26N6O3
MW 434.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.25

Activity Summary

EC50 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 7.51 7.51 31.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 31.0 nM 7.51 Antiviral activity against RSV long A with F1 protein K394R mutation in HEp2 cel... 17576060

Literature References

PubMed DOI Target Context # Activities
17576060 10.1016/j.bmcl.2007.05.102 ADMET 2
17576060 10.1016/j.bmcl.2007.05.102 Respiratory syncytial virus 1

Data from ChEMBL 36 via Core Engine