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Compound Detail

CHEMBL4518782

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O=[N+]([O-])c1ccccc1S(=O)(=O)NN=C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4518782
Phase Preclinical
Structure Type MOL
InChI Key ALFUQXRWFJABKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
3.33
ALogP
5
HBA
1
HBD
101.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N3O4S
MW 381.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
30738655 10.1016/j.bmc.2019.01.043 Bacterial urease 1

Data from ChEMBL 36 via Core Engine