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Compound Detail

CHEMBL299516

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NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3cccc(Br)c3)=NO2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299516
Phase Preclinical
Structure Type MOL
InChI Key DGXWQWMVPIJUKT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.4
MW (Da)
3.90
ALogP
5
HBA
2
HBD
110.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18BrN3O4S
MW 500.37
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.54

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