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Compound Detail

CHEMBL1788187

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O=S(=O)([O-])c1cccc2ccc(OS(=O)(=O)c3cccc4c(S(=O)(=O)Oc5ccc6cccc(S(=O)(=O)[O-])c6c5)cccc34)cc12.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1788187
Phase Preclinical
Structure Type MOL
InChI Key WLFBLZJIOYJNJC-UHFFFAOYSA-L
Parent Compound CHEMBL59655
Active Moiety CHEMBL59655
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

700.8
MW (Da)
5.18
ALogP
10
HBA
2
HBD
195.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H18Na2O12S4
MW 744.71
Aromatic Rings 6
Heavy Atoms 46
NP-Likeness -0.28

Literature References

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

Data from ChEMBL 36 via Core Engine