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Compound Detail

CHEMBL1744437

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O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cc(OS(=O)(=O)c3cccc4c(S(=O)(=O)Oc5ccc6cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c6c5)cccc34)ccc2c1.[Na+].[Na+].[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1744437
Phase Preclinical
Structure Type MOL
InChI Key MDJGDFMKSPAMIF-UHFFFAOYSA-J
Parent Compound CHEMBL48127
Active Moiety CHEMBL48127
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

860.9
MW (Da)
3.67
ALogP
14
HBA
4
HBD
304.2
PSA (Ų)
0.11
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 C30H16Na4O18S6
MW 948.80
Aromatic Rings 6
Heavy Atoms 54
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
8336338 10.1021/jm00066a008 Human immunodeficiency virus 1 2

Data from ChEMBL 36 via Core Engine