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Compound Detail

CHEMBL2171281

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Cc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12

Basic Information

ChEMBL ID CHEMBL2171281
Phase Preclinical
Structure Type MOL
InChI Key GCUJBULPMFJHJA-SFHVURJKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
3.34
ALogP
4
HBA
1
HBD
79.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O3S
MW 395.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.02

Activity Summary

EC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 4.62 4.62 23800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23043370 10.1021/jm300612z Respiratory syncytial virus 2
23043370 10.1021/jm300612z Unchecked 1
23043370 10.1021/jm300612z HEp-2 1

Data from ChEMBL 36 via Core Engine