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Compound Detail

CHEMBL192376

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CCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL192376
Phase Preclinical
Structure Type MOL
InChI Key WUOCQJDBLLNLPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
2.45
ALogP
4
HBA
1
HBD
89.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N2O4S
MW 286.35
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
15801818 10.1021/jm049221w Coagulation factor XIII A chain 1

Data from ChEMBL 36 via Core Engine