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Compound Detail

CHEMBL3352930

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O=S1(=O)NCN(C2CC2)c2ncccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3352930
Phase Preclinical
Structure Type MOL
InChI Key FLIJLROUULZESK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

225.3
MW (Da)
0.30
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.75
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 C9H11N3O2S
MW 225.27
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
25375781 10.1021/jm501268r Unchecked 4

Data from ChEMBL 36 via Core Engine