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Compound Detail

CHEMBL191254

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O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCCCCNc1ncccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191254
Phase Preclinical
Structure Type MOL
InChI Key RWOCZIYGMWZPLI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.4
MW (Da)
2.85
ALogP
8
HBA
2
HBD
157.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N5O6S
MW 423.45
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.52

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine