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Compound Detail

CHEMBL1958455

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Cc1ccc(S(=O)(=O)N/N=C/c2cccc[n+]2[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1958455
Phase Preclinical
Structure Type MOL
InChI Key NHZHYDLQNOGEEA-GXDHUFHOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
0.94
ALogP
4
HBA
1
HBD
85.5
PSA (Ų)
0.39
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 C13H13N3O3S
MW 291.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
181576 10.1021/jm00228a019 Mus musculus 33
181576 10.1021/jm00228a019 NON-PROTEIN TARGET 15
181576 10.1021/jm00228a019 Ehrlich 6
181576 10.1021/jm00228a019 L1210 3
22361685 10.1016/j.ejmech.2012.01.056 Human immunodeficiency virus type 1 reverse transcriptase 2
621718 10.1021/jm00200a015 Sarcoma-180 2
621718 10.1021/jm00200a015 Mus musculus 2
722747 10.1021/jm00210a036 L1210 1
621718 10.1021/jm00200a015 L1210 1

Data from ChEMBL 36 via Core Engine