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Compound Detail

CHEMBL2151421

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O=C([O-])C1Cc2c(OS(=O)(=O)[O-])ccc(OS(=O)(=O)[O-])c2CN1C(=O)Cc1cc(OS(=O)(=O)[O-])ccc1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2151421
Phase Preclinical
Structure Type MOL
InChI Key WHHWPEXJZVCASN-UHFFFAOYSA-I
Parent Compound CHEMBL2221165
Active Moiety CHEMBL2221165
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

679.6
MW (Da)
-1.01
ALogP
14
HBA
5
HBD
312.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12NNa5O19S4
MW 789.50
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness 0.17

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