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

CHEMBL4763529

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
O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)/C=C/c1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4763529
Phase Preclinical
Structure Type MOL
InChI Key ZGHYQRRPXRUMCT-VAWYXSNFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.6
MW (Da)
4.40
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O3S2
MW 439.56
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
32980515 10.1016/j.bmcl.2020.127571 NACHT, LRR and PYD domains-containing protein 3 2

Data from ChEMBL 36 via Core Engine