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Compound Detail

CHEMBL1788189

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Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)[O-])cc(O)c12.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1788189
Phase Preclinical
Structure Type MOL
InChI Key QPILZZVXGUNELN-UHFFFAOYSA-M
Parent Compound CHEMBL60494
Active Moiety CHEMBL60494
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
0.62
ALogP
6
HBA
4
HBD
155.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H8NNaO7S2
MW 341.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
8336338 10.1021/jm00066a008 Human immunodeficiency virus 1 2
1282569 10.1021/jm00104a010 Human immunodeficiency virus type 1 reverse transcriptase 2
1282569 10.1021/jm00104a010 MT4 2

Data from ChEMBL 36 via Core Engine