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Compound Detail

CHEMBL1788184

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O=C(Nc1ccc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)O)c12)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cccc(S(=O)(=O)O)c23)cc1.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1788184
Phase Preclinical
Structure Type MOL
InChI Key VWGGSYPPQLWTRA-UHFFFAOYSA-L
Parent Compound CHEMBL60028
Active Moiety CHEMBL60028
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

736.7
MW (Da)
3.48
ALogP
10
HBA
6
HBD
275.7
PSA (Ų)
0.12
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 C28H18N2Na2O14S4
MW 780.70
Aromatic Rings 5
Heavy Atoms 48
NP-Likeness -0.51

Literature References

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

Data from ChEMBL 36 via Core Engine