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Compound Detail

CHEMBL1744148

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CC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+].[Na+]

Basic Information

ChEMBL ID CHEMBL1744148
Phase Preclinical
Structure Type MOL
InChI Key VINQNSHQVVUDHH-UHFFFAOYSA-K
Parent Compound CHEMBL142550
Active Moiety CHEMBL142550
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
0.54
ALogP
7
HBA
4
HBD
192.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8NNa3O10S3
MW 491.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
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