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Compound Detail

CHEMBL417622

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CS(=O)(=O)CCCn1c(Cn2c(=O)n(CCCCO)c3ccccc32)nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL417622
Phase Preclinical
Structure Type MOL
InChI Key YNOMFFRQURHSSJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
2.41
ALogP
8
HBA
1
HBD
99.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N4O4S
MW 456.57
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.23

Activity Summary

EC50 1 meas. best 7.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEp-2
CHEMBL614735
 EC50 7.04 7.04 92.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEp-2 EC50 = 92.0 nM 7.04 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