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Compound Detail

CHEMBL14954

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C=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCCS(C)(=O)=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL14954
Phase Preclinical
Structure Type MOL
InChI Key FWCDKHORQOIPMP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
3.13
ALogP
7
HBA
0
HBD
78.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N4O3S
MW 424.53
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.17

Activity Summary

EC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEp-2
CHEMBL614735
 EC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEp-2 EC50 = 30.0 nM 7.52 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