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Compound Detail

CHEMBL292533

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O=S(=O)(O)c1cc(S(=O)(=O)O)c2cc(NS(=O)(=O)c3cccc4c(S(=O)(=O)Nc5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5)cccc34)ccc2c1

Basic Information

ChEMBL ID CHEMBL292533
Phase Preclinical
Structure Type MOL
InChI Key BOWNIAXCXVIONX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

858.9
MW (Da)
3.73
ALogP
12
HBA
6
HBD
309.8
PSA (Ų)
0.11
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H22N2O16S6
MW 858.91
Aromatic Rings 6
Heavy Atoms 54
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
7520080 10.1021/jm00042a004 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine