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Compound Detail

CHEMBL1958453

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COc1ccc(S(=O)(=O)N/N=C/c2cc(=O)[nH]c(=O)[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1958453
Phase Preclinical
Structure Type MOL
InChI Key FPBPDPBMNFXAFD-NTUHNPAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
-0.62
ALogP
6
HBA
3
HBD
133.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N4O5S
MW 324.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
22361685 10.1016/j.ejmech.2012.01.056 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine