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Compound Detail

CHEMBL51565

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CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1C1=NOC(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51565
Phase Preclinical
Structure Type MOL
InChI Key IRIZIXJMLPYTOY-UWLYUPEASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

517.6
MW (Da)
1.98
ALogP
9
HBA
2
HBD
147.8
PSA (Ų)
0.59
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 C24H27N3O8S
MW 517.56
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.37

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