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

CHEMBL4640644

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(S(=O)(=O)N/C(=N\C#N)Nc2c3c(cc4c2CCC4)CCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4640644
Phase Preclinical
Structure Type MOL
InChI Key WNDFUWZMMIUFBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
3.20
ALogP
4
HBA
2
HBD
94.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4O2S
MW 394.50
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
32292543 10.1021/acsmedchemlett.9b00433 NACHT, LRR and PYD domains-containing protein 3 1

Data from ChEMBL 36 via Core Engine