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

CHEMBL2151416

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(Cc1cc(OS(=O)(=O)[O-])ccc1OS(=O)(=O)[O-])N1CCc2cc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])cc2C1.[Na+].[Na+].[Na+].[Na+]

Basic Information

ChEMBL ID CHEMBL2151416
Phase Preclinical
Structure Type MOL
InChI Key YIPBOVXXWXDOLN-UHFFFAOYSA-J
Parent Compound CHEMBL2220910
Active Moiety CHEMBL2220910
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

635.6
MW (Da)
-0.46
ALogP
13
HBA
4
HBD
274.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13NNa4O17S4
MW 723.51
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.11

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
21800826 10.1021/jm2008387 Unchecked 3
21800826 10.1021/jm2008387 Coagulation factor X 2
21800826 10.1021/jm2008387 HepG2 1
21800826 10.1021/jm2008387 A549 1

Data from ChEMBL 36 via Core Engine