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

CHEMBL38163

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
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCS(=O)(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL38163
Phase Preclinical
Structure Type MOL
InChI Key XEMSTSLEWYVRFE-NAFXZHHSSA-M
Parent Compound CHEMBL1204986
Active Moiety CHEMBL1204986
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
3.55
ALogP
7
HBA
1
HBD
100.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25NaO8S
MW 460.48
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
12699742 10.1016/s0960-894x(03)00206-3 NON-PROTEIN TARGET 2
12699742 10.1016/s0960-894x(03)00206-3 Mus musculus 1

Data from ChEMBL 36 via Core Engine