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

CHEMBL4079919

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
CC(C)n1ccc2c(C(=O)Nc3ccncc3)cc(-c3cccs3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4079919
Phase Preclinical
Structure Type MOL
InChI Key KMSZMXQRWJTAOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
4.99
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.56
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 C20H18N4OS
MW 362.46
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.08

Literature References

PubMed DOI Target Context # Activities
29346733 10.1021/acs.jmedchem.7b01863 Enterovirus A71 1
29346733 10.1021/acs.jmedchem.7b01863 Coxsackievirus B3 1
29346733 10.1021/acs.jmedchem.7b01863 Poliovirus 1 1
29346733 10.1021/acs.jmedchem.7b01863 Poliovirus 3 1

Data from ChEMBL 36 via Core Engine