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

CHEMBL4533219

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=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2[nH]c3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2c1.[Na+].[Na+].[Na+].[Na+]

Basic Information

ChEMBL ID CHEMBL4533219
Phase Preclinical
Structure Type MOL
InChI Key SRYRVXUPYDAHEP-UHFFFAOYSA-J
Parent Compound CHEMBL4594830
Active Moiety CHEMBL4594830
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

487.5
MW (Da)
0.31
ALogP
8
HBA
5
HBD
233.3
PSA (Ų)
0.31
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 C12H5NNa4O12S4
MW 575.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.15

Activity Summary

IC50 1 meas.

Data from ChEMBL 36 via Core Engine