Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2171478

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(C)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171478
Phase Preclinical
Structure Type MOL
InChI Key GVGXBKHGUARVSG-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
3.34
ALogP
5
HBA
1
HBD
88.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O4S
MW 425.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.91

Activity Summary

EC50 1 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 5.38 5.38 4200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 4200.0 nM 5.38 Antiviral activity against Respiratory syncytial virus Long infected in human He... 23043370

Literature References

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

Data from ChEMBL 36 via Core Engine