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Compound Detail

CHEMBL399437

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C=Cc1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL399437
Phase Preclinical
Structure Type MOL
InChI Key QOXKMRFWRPBJNM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
5.47
ALogP
5
HBA
0
HBD
44.8
PSA (Ų)
0.41
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 C25H30N4O
MW 402.54
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.19

Activity Summary

EC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 630.0 nM 6.2 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