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Compound Detail

CHEMBL14564

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C=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCC(C)=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL14564
Phase Preclinical
Structure Type MOL
InChI Key WOYGFQGUUMUFKY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.67
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.52
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 C22H22N4O2
MW 374.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.96

Activity Summary

EC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEp-2
CHEMBL614735
EC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEp-2 EC50 = 5.0 nM 8.3 Antiviral activity against respiratory syncytial virus in HEp-2 human lung epith... 14980651

Literature References

PubMed DOI Target Context # Activities
14980651 10.1016/j.bmcl.2003.12.072 HEp-2 2
14980651 10.1016/j.bmcl.2003.12.072 ADMET 1

Data from ChEMBL 36 via Core Engine