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

CHEMBL3410434

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
Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)cc(C)n3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410434
Phase Preclinical
Structure Type MOL
InChI Key AODVUVCFKLSHRR-FQEVSTJZSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

441.6
MW (Da)
3.39
ALogP
6
HBA
1
HBD
96.7
PSA (Ų)
0.67
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 C22H27N5O3S
MW 441.56
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.96

Activity Summary

EC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 7.64 7.64 23.0 1

Pharmacokinetic Data

Parameter Value Units Species
Fu 0.016 - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 23.0 nM 7.64 Antiviral activity against Respiratory syncytial virus A2 infected in human Hep2... 25574686

Literature References

PubMed DOI Target Context # Activities
25574686 10.1021/jm5017768 ADMET 4
25574686 10.1021/jm5017768 Respiratory syncytial virus 1
25574686 10.1021/jm5017768 No relevant target 1
25574686 10.1021/jm5017768 Plasma 1
25574686 10.1021/jm5017768 MT4 1

Data from ChEMBL 36 via Core Engine