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Compound Detail

CHEMBL4176367

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NS(=O)(=O)c1ccc(CNc2nccc(-c3ccccn3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176367
Phase Preclinical
Structure Type MOL
InChI Key SFZMAUFTSAJTLL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
1.80
ALogP
6
HBA
2
HBD
110.9
PSA (Ų)
0.73
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 C16H15N5O2S
MW 341.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
30091915 10.1021/acs.jmedchem.8b00669 Unchecked 1

Data from ChEMBL 36 via Core Engine