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Compound Detail

CHEMBL247221

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CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cccc(N=[N+]=[N-])c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247221
Phase Preclinical
Structure Type MOL
InChI Key OXKMUZRSEFCJBI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
5.77
ALogP
6
HBA
0
HBD
93.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N7O
MW 417.52
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.21

Activity Summary

EC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 5.43 5.43 3700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 3700.0 nM 5.43 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