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Compound Detail

CHEMBL247843

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COCc1cccc2c1nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C

Basic Information

ChEMBL ID CHEMBL247843
Phase Preclinical
Structure Type MOL
InChI Key FPSIFUICXHZLCW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
4.97
ALogP
6
HBA
0
HBD
54.0
PSA (Ų)
0.40
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 C25H32N4O2
MW 420.56
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.12

Activity Summary

EC50 1 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 5.12 5.12 7500.0 1

Activity Data Samples

Top measurements by pChEMBL value

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