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Compound Detail

CHEMBL444041

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Nc1ccc(S(=O)(=O)O)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL444041
Phase Preclinical
Structure Type MOL
InChI Key NRZRRZAVMCAKEP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

223.2
MW (Da)
1.67
ALogP
3
HBA
2
HBD
80.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9NO3S
MW 223.25
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
8336338 10.1021/jm00066a008 Human immunodeficiency virus 1 2
7520080 10.1021/jm00042a004 Human immunodeficiency virus type 1 reverse transcriptase 2
24215819 10.1016/j.ejmech.2013.10.053 5'-nucleotidase 2
24215819 10.1016/j.ejmech.2013.10.053 HCEC 1
24215819 10.1016/j.ejmech.2013.10.053 NCI-H157 1

Data from ChEMBL 36 via Core Engine