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Compound Detail

CHEMBL53941

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COc1ccc(Br)cc1C1=NOC(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL53941
Phase Preclinical
Structure Type MOL
InChI Key FUJLLIAOSSWLJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

530.4
MW (Da)
3.90
ALogP
6
HBA
2
HBD
120.1
PSA (Ų)
0.50
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 C23H20BrN3O5S
MW 530.40
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.30

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