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

CHEMBL4636246

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
CC1(n2c(=O)n(Cc3cc4cc(Cl)ccc4n3CCCS(C)(=O)=O)c3cnccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4636246
Phase Preclinical
Structure Type MOL
InChI Key RYZZBCKKEWOPLO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

473.0
MW (Da)
3.80
ALogP
7
HBA
0
HBD
78.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25ClN4O3S
MW 473.00
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.04

Activity Summary

EC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL2364165
 EC50 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fusion glycoprotein F0 EC50 = 0.5012 nM 9.3 Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells asse... 32407115

Literature References

PubMed DOI Target Context # Activities
32407115 10.1021/acs.jmedchem.0c00226 Fusion glycoprotein F0 1
32407115 10.1021/acs.jmedchem.0c00226 ADMET 1
32407115 10.1021/acs.jmedchem.0c00226 HeLa 1
32407115 10.1021/acs.jmedchem.0c00226 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine