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Compound Detail

CHEMBL50298

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NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc(Cl)c([N+](=O)[O-])c3)=NO2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50298
Phase Preclinical
Structure Type MOL
InChI Key SMOQZPYLCXSLGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.9
MW (Da)
3.69
ALogP
7
HBA
2
HBD
154.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17ClN4O6S
MW 500.92
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
12729667 10.1016/s0960-894x(03)00130-6 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine