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Compound Detail

CHEMBL3330480

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O=C(Nc1ccc(Cl)s1)[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330480
Phase Preclinical
Structure Type MOL
InChI Key IKAIYXKHSIVBTO-YVEFUNNKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.9
MW (Da)
2.49
ALogP
7
HBA
1
HBD
97.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16ClN3O6S
MW 449.87
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
25179681 10.1021/jm501045e Coagulation factor X 1

Data from ChEMBL 36 via Core Engine