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

CHEMBL2017637

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(-n2c(SC(C)C(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017637
Phase Preclinical
Structure Type MOL
InChI Key MSQDURICCQQEMX-UHFFFAOYSA-N
7
Targets
9
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

452.0
MW (Da)
6.12
ALogP
5
HBA
1
HBD
56.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClN3O2S
MW 451.98
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.11

Activity Summary

EC50 9 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 8.0 8.0 10.0 1
Respiratory syncytial virus
CHEMBL612679
 EC50 8.0 7.58 10.0 2
Human respirovirus 3
CHEMBL613126
 EC50 8.0 8.0 10.0 1
unidentified influenza virus
CHEMBL613128
 EC50 8.0 8.0 10.0 1
Mumps virus
CHEMBL613735
 EC50 8.0 8.0 10.0 1
Measles morbillivirus
CHEMBL613738
 EC50 7.52 7.11 30.0 2
Influenza A virus
CHEMBL613740
 EC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 10.0 nM 8.0 Antiviral activity against Paramyxovirus measured 28 to 36 hrs post infection by... 22328961
unidentified influenza virus EC50 = 10.0 nM 8.0 Antiviral activity against Influenza virus 22328961
Mumps virus EC50 = 10.0 nM 8.0 Antiviral activity against Mumps virus 22328961
Human respirovirus 3 EC50 = 10.0 nM 8.0 Antiviral activity against Human parainfluenza virus 3 22328961
Respiratory syncytial virus EC50 = 10.0 nM 8.0 Antiviral activity against Respiratory syncytial virus 22328961
Measles morbillivirus EC50 = 30.0 nM 7.52 Antiviral activity against Measles virus MVi/Alaska USA/16.00 genotype H2 infect... 22328961
Influenza A virus EC50 = 40.0 nM 7.4 Antiviral activity against Influenza A virus A/sw/Texas/2009(H1N1) virus by fire... 23956816
Respiratory syncytial virus EC50 = 70.0 nM 7.16 Antiviral activity against Respiratory syncytial virus by firefly luciferase rep... 23956816
Measles morbillivirus EC50 = 200.0 nM 6.7 Antiviral activity against Measles virus MVi/Alaska USA/16.00 genotype H2 infect... 22328961

Literature References

PubMed DOI Target Context # Activities
22328961 10.1021/ml200125r Measles morbillivirus 2
23956816 10.1021/ml400166b Influenza A virus 2
22328961 10.1021/ml200125r NON-PROTEIN TARGET 1
22328961 10.1021/ml200125r unidentified influenza virus 1
22328961 10.1021/ml200125r Mumps virus 1
22328961 10.1021/ml200125r Human respirovirus 3 1
22328961 10.1021/ml200125r Respiratory syncytial virus 1
22328961 10.1021/ml200125r Vero 1
23956816 10.1021/ml400166b Respiratory syncytial virus 1

Data from ChEMBL 36 via Core Engine