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Compound Detail

CHEMBL3410411

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Cc1[nH]c2cc([C@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)nn2c(=O)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410411
Phase Preclinical
Structure Type MOL
InChI Key CCUBJXKKOTVNHI-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
2.38
ALogP
6
HBA
2
HBD
116.6
PSA (Ų)
0.64
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 C21H25N5O4S
MW 443.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.49

Activity Summary

EC50 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 5.33 5.33 4700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 4700.0 nM 5.33 Antiviral activity against Respiratory syncytial virus A2 infected in human Hep2... 25574686

Literature References

PubMed DOI Target Context # Activities
25574686 10.1021/jm5017768 Respiratory syncytial virus 1

Data from ChEMBL 36 via Core Engine