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

CHEMBL4575432

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=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4575432
Phase Preclinical
Structure Type MOL
InChI Key XPTKJDQWLKNSED-LDADJPATSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
4.54
ALogP
5
HBA
2
HBD
91.9
PSA (Ų)
0.64
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 C21H14N2O4S
MW 390.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
30925338 10.1016/j.ejmech.2019.03.039 Glycogen synthase kinase-3 alpha 2
30925338 10.1016/j.ejmech.2019.03.039 Glycogen synthase kinase-3 beta 2

Data from ChEMBL 36 via Core Engine